smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[C@H]([NH2+][C@@H]1CCCN(c2cccnn2)C1)c1ccc(N(C)C)cc1 ZINC000089732787 454186449 /nfs/dbraw/zinc/18/64/49/454186449.db2.gz XDQYHYRKIOBVQB-MJGOQNOKSA-N 1 0 339.487 3.252 10 10 EGCERO COc1cc(Cl)cc(C[N@@H+]2CCC[C@@H]2Cn2ccnc2C)c1O ZINC000184700961 455431704 /nfs/dbraw/zinc/43/17/04/455431704.db2.gz CVTGDKBZTKGMLQ-OAHLLOKOSA-N 1 0 335.835 3.224 10 10 EGCERO Cc1nc(C)n(C[C@@H]2CCC[N@H+](Cc3cc(C)c(C)cc3O)C2)n1 ZINC000152713262 454716544 /nfs/dbraw/zinc/71/65/44/454716544.db2.gz MUDYRZAEHZIGIA-QGZVFWFLSA-N 1 0 328.460 3.130 10 10 EGCERO CCCOc1ccc(C[N@@H+]2CC[C@@H](Oc3cccnc3)C2)c(O)c1 ZINC000093691500 454729777 /nfs/dbraw/zinc/72/97/77/454729777.db2.gz WOYCEAPVPHCUSE-GOSISDBHSA-N 1 0 328.412 3.229 10 10 EGCERO CO[C@@H]1CC[C@H]2OCC[N@H+](Cc3c(O)ccc4ccccc43)[C@@H]2C1 ZINC000165265772 454897215 /nfs/dbraw/zinc/89/72/15/454897215.db2.gz IXAXDSVPEJAQSJ-XFQXTVEOSA-N 1 0 327.424 3.314 10 10 EGCERO CC(=O)c1cc(F)cc(CN2CCC(C[NH+]3CCCC3)CC2)c1O ZINC000171138534 455036094 /nfs/dbraw/zinc/03/60/94/455036094.db2.gz LEHGAXHNGICMRM-UHFFFAOYSA-N 1 0 334.435 3.042 10 10 EGCERO C[C@@H]([NH2+][C@H]1CCCN(c2ncccn2)C1)c1cc(Cl)ccc1O ZINC000185060803 455493624 /nfs/dbraw/zinc/49/36/24/455493624.db2.gz NJNNJYDDPXLIMG-OCCSQVGLSA-N 1 0 332.835 3.155 10 10 EGCERO C[C@H]([NH2+]C[C@@H]1CCCC[C@@H]1O)c1ccc(Br)cc1O ZINC000185531662 455573782 /nfs/dbraw/zinc/57/37/82/455573782.db2.gz RLIWJUJKDPMUFZ-MJVIPROJSA-N 1 0 328.250 3.356 10 10 EGCERO CN(C)c1ccc(C[NH2+][C@H](CO)c2cccc(Br)c2)cc1 ZINC000271817743 455773709 /nfs/dbraw/zinc/77/37/09/455773709.db2.gz MIGSHWREDMTATB-QGZVFWFLSA-N 1 0 349.272 3.338 10 10 EGCERO CN1C[C@H]([NH2+][C@H](CCc2ccccc2)c2ccccc2O)CCC1=O ZINC000293785136 455797210 /nfs/dbraw/zinc/79/72/10/455797210.db2.gz QJXDRPSFAVZPBG-IEBWSBKVSA-N 1 0 338.451 3.277 10 10 EGCERO COc1cccc(C[N@H+](C)[C@@H]2CCN(Cc3ccccc3)C2)c1O ZINC000271039905 456107270 /nfs/dbraw/zinc/10/72/70/456107270.db2.gz LZIJFEAUTOAWCU-GOSISDBHSA-N 1 0 326.440 3.107 10 10 EGCERO CCOc1ccc(O)c(C[NH2+]C[C@H](c2ccco2)N2CCCC2)c1 ZINC000237073899 456227128 /nfs/dbraw/zinc/22/71/28/456227128.db2.gz HDKFLNRONRNSGH-QGZVFWFLSA-N 1 0 330.428 3.311 10 10 EGCERO COc1cc(O)c(C[NH2+]CCc2cccc3[nH]ccc32)cc1OC ZINC000282269234 456461538 /nfs/dbraw/zinc/46/15/38/456461538.db2.gz CKMAIDGISKFLDM-UHFFFAOYSA-N 1 0 326.396 3.223 10 10 EGCERO C[C@H]([NH2+]C[C@@H]1CCC2(CCOCC2)[C@H]1O)c1cc(Cl)ccc1O ZINC000283002577 456686654 /nfs/dbraw/zinc/68/66/54/456686654.db2.gz GJGXHVRKVXOYBD-DCGLDWPTSA-N 1 0 339.863 3.264 10 10 EGCERO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NCCCCF)C1 ZINC000360504355 457316079 /nfs/dbraw/zinc/31/60/79/457316079.db2.gz CFTXNRSYUOPZJA-UHFFFAOYSA-N 1 0 345.462 3.274 10 10 EGCERO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)c2nnc3n2CCCCC3)c1 ZINC000373931004 457406678 /nfs/dbraw/zinc/40/66/78/457406678.db2.gz AAXYDLDGJUCIOJ-QWHCGFSZSA-N 1 0 330.432 3.131 10 10 EGCERO COc1ccc(O)c([C@@H](C)[NH2+][C@H](C)c2nnc3n2CCCCC3)c1 ZINC000373931000 457406795 /nfs/dbraw/zinc/40/67/95/457406795.db2.gz AAXYDLDGJUCIOJ-CHWSQXEVSA-N 1 0 330.432 3.131 10 10 EGCERO CC(=O)c1cc(F)cc(C[NH2+][C@@H]2CCN(C)[C@H]2c2ccccc2)c1O ZINC000375063145 457776561 /nfs/dbraw/zinc/77/65/61/457776561.db2.gz CKRGRMASQOLXCD-MOPGFXCFSA-N 1 0 342.414 3.269 10 10 EGCERO COCC[C@H]1CCCC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000375106482 457794529 /nfs/dbraw/zinc/79/45/29/457794529.db2.gz VCARIRJPSRVOFJ-GOSISDBHSA-N 1 0 332.488 3.162 10 10 EGCERO CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@@H](Cc3ccncc3)C2)c1O ZINC000375154284 457814042 /nfs/dbraw/zinc/81/40/42/457814042.db2.gz SNDIBJDFEXAYOY-HNNXBMFYSA-N 1 0 328.387 3.194 10 10 EGCERO Cc1cc(Cl)cc(C[NH+]2CCC(c3nnc4n3CCC4)CC2)c1O ZINC000362042674 458022345 /nfs/dbraw/zinc/02/23/45/458022345.db2.gz UVWVMYHROIIOEP-UHFFFAOYSA-N 1 0 346.862 3.271 10 10 EGCERO CC[C@@H]1C[N@H+](Cc2ccc(N3CCCCC3)cc2)C[C@@]2(CCOC2)O1 ZINC000376020181 458166596 /nfs/dbraw/zinc/16/65/96/458166596.db2.gz DYLHYARPKGOPLF-NHCUHLMSSA-N 1 0 344.499 3.447 10 10 EGCERO COC(=O)[C@H]1CC[N@H+](Cc2cc3oc4ccccc4c3cc2O)C1 ZINC000726962595 574621555 /nfs/dbraw/zinc/62/15/55/574621555.db2.gz ZZXWQMFRVSVGEK-LBPRGKRZSA-N 1 0 325.364 3.287 10 10 EGCERO CC[N@@H+]1CC[C@H](CNC(=O)c2cc(C)ccc2-n2c(C)ccc2C)C1 ZINC000730937396 575037895 /nfs/dbraw/zinc/03/78/95/575037895.db2.gz SNCRIPJQDPCSGO-GOSISDBHSA-N 1 0 339.483 3.474 10 10 EGCERO CCCN(CCC)c1ccc(C[NH2+][C@@H]2CC(=O)N(C(C)C)C2)cc1 ZINC000738438811 576326208 /nfs/dbraw/zinc/32/62/08/576326208.db2.gz GELQCUXWGKTMKH-GOSISDBHSA-N 1 0 331.504 3.412 10 10 EGCERO Oc1ccc2ccccc2c1C[NH+]1CCN(Cc2ccccn2)CC1 ZINC000022847552 1291226575 /nfs/dbraw/zinc/22/65/75/1291226575.db2.gz JLSFXHOYLSTBSP-UHFFFAOYSA-N 1 0 333.435 3.258 10 10 EGCERO Cc1ccc(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)c(C)n1 ZINC000186504358 1295332604 /nfs/dbraw/zinc/33/26/04/1295332604.db2.gz VALXJWPHPMPOTG-UHFFFAOYSA-N 1 0 325.456 3.167 10 10 EGCERO COc1cc(C)cc(C[NH2+][C@H]2CCc3cnn(C(C)C)c3C2)c1O ZINC000894543471 1308947975 /nfs/dbraw/zinc/94/79/75/1308947975.db2.gz QYYTXQDBMLAAPD-INIZCTEOSA-N 1 0 329.444 3.134 10 10 EGCERO Oc1ccc(Br)cc1C[N@@H+]1CC[C@H]([C@H]2CCCO2)C1 ZINC000895848466 1309557281 /nfs/dbraw/zinc/55/72/81/1309557281.db2.gz ZMPUOVJCMNWPCF-XHDPSFHLSA-N 1 0 326.234 3.156 10 10 EGCERO O=C(NC1CC[NH+](C2CCC2)CC1)c1cc2cc(O)c(O)cc2s1 ZINC000897921662 1310516546 /nfs/dbraw/zinc/51/65/46/1310516546.db2.gz LFKTVIZWPWOAHQ-UHFFFAOYSA-N 1 0 346.452 3.059 10 10 EGCERO c1n[nH]c2c1CCC[C@H]2[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000857848808 1328602016 /nfs/dbraw/zinc/60/20/16/1328602016.db2.gz NGGHTSJZCIQJSF-QGZVFWFLSA-N 1 0 328.485 3.130 10 10 EGCERO Oc1ccc(Cl)cc1CN1CCC[C@@H]([NH2+]Cc2ccnc(F)c2)C1 ZINC000858137425 1328692175 /nfs/dbraw/zinc/69/21/75/1328692175.db2.gz PPXMMWYXECBEAT-MRXNPFEDSA-N 1 0 349.837 3.334 10 10 EGCERO OCCOC1(C[NH2+]Cc2cc(Cl)ccc2O)CCC(F)(F)CC1 ZINC000858236138 1328718517 /nfs/dbraw/zinc/71/85/17/1328718517.db2.gz BPCIEHFDGPUEMJ-UHFFFAOYSA-N 1 0 349.805 3.092 10 10 EGCERO CN(C)c1ccc(/C=C/C[NH2+]C[C@@H]2c3ccccc3C(=O)N2C)cc1 ZINC000858283298 1328728499 /nfs/dbraw/zinc/72/84/99/1328728499.db2.gz GITGEWUQBAXEGW-ROUKRRSUSA-N 1 0 335.451 3.182 10 10 EGCERO Oc1ccccc1[C@H](CCc1ccccc1)[NH2+]C[C@@H](O)[C@@H]1CCCO1 ZINC000858470352 1328770774 /nfs/dbraw/zinc/77/07/74/1328770774.db2.gz YVEXQXTXVALCOL-TYPHKJRUSA-N 1 0 341.451 3.196 10 10 EGCERO COC(=O)C1=CC[C@H]([NH2+][C@H](C)c2ccc(Br)cc2O)C1 ZINC000858473507 1328771336 /nfs/dbraw/zinc/77/13/36/1328771336.db2.gz OXKBMHUEEIFTKX-SKDRFNHKSA-N 1 0 340.217 3.067 10 10 EGCERO c1cc([C@@H]2CCC[N@@H+](Cc3ccc(N4CCOCC4)cc3)C2)ccn1 ZINC000930479039 1328869370 /nfs/dbraw/zinc/86/93/70/1328869370.db2.gz ZHVYQGMYFCENLY-HXUWFJFHSA-N 1 0 337.467 3.298 10 10 EGCERO Cc1cc(C(=O)NC[C@@H]2CCC[N@H+]2C)c(C)n1-c1cccc(C)c1 ZINC000920474996 1322182160 /nfs/dbraw/zinc/18/21/60/1322182160.db2.gz YTQOICJFAASYQA-SFHVURJKSA-N 1 0 325.456 3.227 10 10 EGCERO c1cc2c(cc1C[NH2+]CC[C@@H]1CCC3(CCOCC3)CO1)CCCO2 ZINC000922339975 1322505419 /nfs/dbraw/zinc/50/54/19/1322505419.db2.gz AUXDANWCPOPTHV-IBGZPJMESA-N 1 0 345.483 3.467 10 10 EGCERO CCOCc1cc(C[NH2+][C@@H]2C[C@H]3OC(C)(C)O[C@H]3C2)ccc1OC ZINC000922875436 1322638026 /nfs/dbraw/zinc/63/80/26/1322638026.db2.gz KXAVFOGDPHKZQQ-XGWQRUHWSA-N 1 0 335.444 3.004 10 10 EGCERO COc1ccc(N2CCC([NH2+][C@@H](C3CC3)[C@@H]3CCCOC3)CC2)cc1 ZINC000922898423 1322644774 /nfs/dbraw/zinc/64/47/74/1322644774.db2.gz VORUUFIJYFHQCR-UTKZUKDTSA-N 1 0 344.499 3.459 10 10 EGCERO Fc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)S3)ccc1N1CCOCC1 ZINC000924718735 1323132232 /nfs/dbraw/zinc/13/22/32/1323132232.db2.gz ZWEAWLZGDSAQQI-MQVJKMGUSA-N 1 0 336.476 3.179 10 10 EGCERO c1cc(N2CCOCC2)ccc1C[NH2+][C@@H]1CCOC12CCCCC2 ZINC000924751339 1323145515 /nfs/dbraw/zinc/14/55/15/1323145515.db2.gz SHAAXIPEKATVSB-LJQANCHMSA-N 1 0 330.472 3.105 10 10 EGCERO CC[C@H]([NH2+]CCN1CCC([NH3+])CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000925809848 1325311073 /nfs/dbraw/zinc/31/10/73/1325311073.db2.gz AXIYOIMCWMGKKE-AWEZNQCLSA-N 1 0 346.302 3.163 10 10 EGCERO COc1ccc(N2CC[C@H]([NH2+][C@H]3CCCC[C@H]3CCCO)C2)cc1 ZINC000926680630 1327664016 /nfs/dbraw/zinc/66/40/16/1327664016.db2.gz QEFYEVZHMYBKMT-ZWOKBUDYSA-N 1 0 332.488 3.195 10 10 EGCERO CCC[NH+](CCC)CCCC(=O)NCc1ccc2cccnc2c1O ZINC000862028443 1329456070 /nfs/dbraw/zinc/45/60/70/1329456070.db2.gz ZNBLFSJITLZGLY-UHFFFAOYSA-N 1 0 343.471 3.459 10 10 EGCERO CC(C)[C@H](C(=O)NCc1ccc2cccnc2c1O)[NH+]1CCCCC1 ZINC000862028425 1329456086 /nfs/dbraw/zinc/45/60/86/1329456086.db2.gz ZAPGAOBQRFXGDQ-GOSISDBHSA-N 1 0 341.455 3.067 10 10 EGCERO Cc1ncc(C[NH2+][C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)o1 ZINC000862283089 1329473894 /nfs/dbraw/zinc/47/38/94/1329473894.db2.gz AFXUQUFAAHEOOV-CYBMUJFWSA-N 1 0 337.370 3.343 10 10 EGCERO Cc1cc(Br)cc(C[NH2+][C@H]2CO[C@H](C3CC3)C2)c1O ZINC000862529869 1329492518 /nfs/dbraw/zinc/49/25/18/1329492518.db2.gz QNVRGVIXVVDGBU-KGLIPLIRSA-N 1 0 326.234 3.120 10 10 EGCERO COC[C@]1(C)C[N@H+](Cc2cc(-c3ccccc3)ccc2O)CCO1 ZINC000862552343 1329495845 /nfs/dbraw/zinc/49/58/45/1329495845.db2.gz WUFXSSGHWNRYEF-FQEVSTJZSA-N 1 0 327.424 3.297 10 10 EGCERO C[NH+]1CCN(c2ccc(CNc3cncc(C(F)F)c3)cc2)CC1 ZINC000865295262 1329684186 /nfs/dbraw/zinc/68/41/86/1329684186.db2.gz AZLLSCRUUZWJJV-UHFFFAOYSA-N 1 0 332.398 3.383 10 10 EGCERO COc1ccc(N2CCC([NH2+][C@H](C3CCC3)[C@H]3CCOC3)CC2)cc1 ZINC000865758701 1329735376 /nfs/dbraw/zinc/73/53/76/1329735376.db2.gz BUTSELCMJPFYMC-LAUBAEHRSA-N 1 0 344.499 3.459 10 10 EGCERO C[C@@H]([NH2+][C@H]1C[C@H](S(=O)(=O)c2ccccc2)C1)c1ccccc1O ZINC000866518364 1330121438 /nfs/dbraw/zinc/12/14/38/1330121438.db2.gz YHBUTQWBIDSVJO-IIAWOOMASA-N 1 0 331.437 3.048 10 10 EGCERO CC[C@@H]1[C@@H](C(=O)Nc2c(-c3ccccn3)nc3ccccn32)CC[N@@H+]1C ZINC000868432800 1330280121 /nfs/dbraw/zinc/28/01/21/1330280121.db2.gz DQQGQFXMGZIKFB-GOEBONIOSA-N 1 0 349.438 3.065 10 10 EGCERO CC[NH+]1CCN(c2ccc(CNC(=O)CCCC(C)C)cc2F)CC1 ZINC001125907934 1372887576 /nfs/dbraw/zinc/88/75/76/1372887576.db2.gz PKYKANVENSOXEX-UHFFFAOYSA-N 1 0 349.494 3.410 10 10 EGCERO CC[NH+]1CCN(c2ccc(CNC(=O)CCC3(C)CC3)cc2F)CC1 ZINC001125976054 1372902803 /nfs/dbraw/zinc/90/28/03/1372902803.db2.gz JEYIWHXQCNGWFX-UHFFFAOYSA-N 1 0 347.478 3.164 10 10 EGCERO COc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)C3(C)CC3)C2)cc1C ZINC001263901940 1377138158 /nfs/dbraw/zinc/13/81/58/1377138158.db2.gz NYJUNAIDTBGJDY-DLBZAZTESA-N 1 0 330.472 3.178 10 10 EGCERO CC[C@@H](C)C[N@H+](CCNC(=O)c1ccc(N=NC(N)=O)cc1)C1CC1 ZINC001267338466 1377442698 /nfs/dbraw/zinc/44/26/98/1377442698.db2.gz XPAREIHJHRUGCY-CYBMUJFWSA-N 1 0 345.447 3.089 10 10 EGCERO COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)C2CC3(CC3)C2)cc1C ZINC001283664139 1379092561 /nfs/dbraw/zinc/09/25/61/1379092561.db2.gz UQIRTRKOKAPJJJ-HNNXBMFYSA-N 1 0 330.472 3.130 10 10 EGCERO COc1ccc(N2CC[C@H]([NH2+]Cc3ccc(F)c(OC)c3)C2)cc1 ZINC001327793716 1388596911 /nfs/dbraw/zinc/59/69/11/1388596911.db2.gz VIVNPYWROPKQDT-HNNXBMFYSA-N 1 0 330.403 3.211 10 10 EGCERO CCCN(Cc1ccccc1O)C(=O)C[N@H+](C)CCc1ccccc1 ZINC001294681258 1382483251 /nfs/dbraw/zinc/48/32/51/1382483251.db2.gz AMGVJAVAVNLICY-UHFFFAOYSA-N 1 0 340.467 3.305 10 10 EGCERO C[NH+]1CCN(c2ccc(CNc3c(F)cccc3[N+](=O)[O-])cc2)CC1 ZINC001164008538 1383146304 /nfs/dbraw/zinc/14/63/04/1383146304.db2.gz NEGHNPQYUGYETB-UHFFFAOYSA-N 1 0 344.390 3.098 10 10 EGCERO COC(=O)C1(c2ccc(C[N@H+](C)Cc3ccccc3O)cc2)CC1 ZINC001307538369 1383999940 /nfs/dbraw/zinc/99/99/40/1383999940.db2.gz XIWIVMAOHIRBHS-UHFFFAOYSA-N 1 0 325.408 3.229 10 10 EGCERO COC(=O)C1(c2ccc(C[NH2+][C@H](C)c3ccccc3O)cc2)CC1 ZINC001308009792 1384074702 /nfs/dbraw/zinc/07/47/02/1384074702.db2.gz DQWOCWOGIVHATC-CQSZACIVSA-N 1 0 325.408 3.448 10 10 EGCERO CC[C@@H](C)[C@@H](C)[NH+]1CCN(c2cc(OC)c(OC)c(OC)c2)CC1 ZINC001169072470 1384103338 /nfs/dbraw/zinc/10/33/38/1384103338.db2.gz JNEBJPNEOGXROX-HUUCEWRRSA-N 1 0 336.476 3.269 10 10 EGCERO COc1ccc(C[NH2+][C@@H](CNC(=O)[C@]2(C)C=CCC2)C2CC2)cc1C ZINC001317026073 1384792774 /nfs/dbraw/zinc/79/27/74/1384792774.db2.gz LDGKLRUOGFOEKR-GHTZIAJQSA-N 1 0 342.483 3.344 10 10 EGCERO CC[C@H](F)C(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC001318965159 1385900689 /nfs/dbraw/zinc/90/06/89/1385900689.db2.gz CUIVTNFLEIKHHY-ULQDDVLXSA-N 1 0 336.451 3.269 10 10 EGCERO Cc1ccc(C[N@@H+](C)Cc2ccc(N3CCN(C)CC3)c(F)c2)o1 ZINC001320465845 1386617185 /nfs/dbraw/zinc/61/71/85/1386617185.db2.gz OKSNEZZDRPUBAX-UHFFFAOYSA-N 1 0 331.435 3.111 10 10 EGCERO CCN(CC[NH2+]Cc1ccc(OC)c(C)c1)C(=O)Cc1ccc(C)o1 ZINC001320715409 1386699616 /nfs/dbraw/zinc/69/96/16/1386699616.db2.gz OZBWCZYHTURTQE-UHFFFAOYSA-N 1 0 344.455 3.086 10 10 EGCERO COc1ccc(C[NH2+]C[C@H](C)NC(=O)c2ccoc2C2CC2)cc1C ZINC001321957412 1387018261 /nfs/dbraw/zinc/01/82/61/1387018261.db2.gz HKMPTUOFFCFXKW-AWEZNQCLSA-N 1 0 342.439 3.382 10 10 EGCERO COc1ccc(C[NH2+][C@H](CCN(C)C(=O)C2CC2)C(C)C)cc1C ZINC001329720719 1389208653 /nfs/dbraw/zinc/20/86/53/1389208653.db2.gz OESSNIXBTIVBLD-GOSISDBHSA-N 1 0 332.488 3.376 10 10 EGCERO COc1ccc2[nH]c3c(c2c1)CCN(Cc1cccc(OC)c1O)C3 ZINC001331579737 1389812242 /nfs/dbraw/zinc/81/22/42/1389812242.db2.gz KAENPJIWCQGLTH-UHFFFAOYSA-N 1 0 338.407 3.449 10 10 EGCERO COC[C@H]1CCC[N@H+](Cc2ccc(Br)cc2O)CC1 ZINC001350620867 1391492123 /nfs/dbraw/zinc/49/21/23/1391492123.db2.gz ZUMCCIQAGSSHII-LBPRGKRZSA-N 1 0 328.250 3.403 10 10 EGCERO COc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H](C)C2CCC2)cc1C ZINC001482297653 1394874713 /nfs/dbraw/zinc/87/47/13/1394874713.db2.gz DEASICWUCJLWSU-CVEARBPZSA-N 1 0 332.488 3.376 10 10 EGCERO COc1ccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)c2ccccc2)cc1C ZINC001485115439 1395663521 /nfs/dbraw/zinc/66/35/21/1395663521.db2.gz FEWJCGDGBHBRNY-HZPDHXFCSA-N 1 0 326.440 3.300 10 10 EGCERO COc1ccc(C[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]2C[C@@H]2C)cc1C ZINC001485244755 1395736615 /nfs/dbraw/zinc/73/66/15/1395736615.db2.gz GBZZCSDSMOAQSD-WMLDXEAASA-N 1 0 332.488 3.234 10 10 EGCERO COc1ccc(C[NH2+][C@H](C)CCNC(=O)c2cnccc2C)cc1C ZINC001492000143 1396301984 /nfs/dbraw/zinc/30/19/84/1396301984.db2.gz STQLNMMLKYPIGJ-MRXNPFEDSA-N 1 0 341.455 3.005 10 10 EGCERO CN(CC[NH2+]CCCC1CCC1)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001493811545 1396342804 /nfs/dbraw/zinc/34/28/04/1396342804.db2.gz ZSUQKDSWLBOYBQ-UHFFFAOYSA-N 1 0 345.447 3.091 10 10 EGCERO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)/C=C\C(C)(C)C)C2)cc1C ZINC001690270353 1404437977 /nfs/dbraw/zinc/43/79/77/1404437977.db2.gz CSVZNDPRUFTVCD-PDPUKGEOSA-N 1 0 330.472 3.343 10 10 EGCERO CCn1ccc(C(=O)NC[C@H](C)[NH2+]Cc2ccc(OC)c(C)c2)c1C ZINC001690614891 1404652999 /nfs/dbraw/zinc/65/29/99/1404652999.db2.gz RNCXDZMWLXNCBI-HNNXBMFYSA-N 1 0 343.471 3.042 10 10 EGCERO COc1ccc(C[NH2+][C@H](CNC(=O)C2(C)CC=CC2)C2CC2)cc1C ZINC001731407569 1427371486 /nfs/dbraw/zinc/37/14/86/1427371486.db2.gz XJRQILRLBYWORQ-GOSISDBHSA-N 1 0 342.483 3.344 10 10 EGCERO COc1ccc(C[NH2+][C@H](C)[C@H](C)NC(=O)C2(C)CC=CC2)cc1C ZINC001700423286 1413974860 /nfs/dbraw/zinc/97/48/60/1413974860.db2.gz VXMNNMLMEFULTG-CVEARBPZSA-N 1 0 330.472 3.343 10 10 EGCERO COc1ccc(C[NH2+][C@H](CNC(=O)c2occc2C)C2CC2)cc1C ZINC001713105503 1417665212 /nfs/dbraw/zinc/66/52/12/1417665212.db2.gz NXACFPNBHDKFFP-QGZVFWFLSA-N 1 0 342.439 3.203 10 10 EGCERO COc1ccc(C[NH2+]C[C@@](C)(NC(=O)C2CC=CC2)C2CC2)cc1C ZINC001715109514 1419852328 /nfs/dbraw/zinc/85/23/28/1419852328.db2.gz CAOBAVGIOZVZLD-OAQYLSRUSA-N 1 0 342.483 3.344 10 10 EGCERO COc1ccc(C[NH2+]C[C@@H](C)CNC(=O)c2cccc(C)c2)cc1C ZINC001715221482 1419955169 /nfs/dbraw/zinc/95/51/69/1419955169.db2.gz MGOBDBCCFVWALN-MRXNPFEDSA-N 1 0 340.467 3.468 10 10 EGCERO CC[C@@H]1C[C@H]1C(=O)NC[C@H]([NH2+]Cc1ccc(OC)c(C)c1)C(C)C ZINC001715500726 1420183168 /nfs/dbraw/zinc/18/31/68/1420183168.db2.gz HOYOSKXWHIBWJL-KURKYZTESA-N 1 0 332.488 3.280 10 10 EGCERO COc1ccc(C[NH2+]C[C@H](C)NC(=O)C2(C)CC(F)(F)C2)cc1C ZINC001716005625 1420459428 /nfs/dbraw/zinc/45/94/28/1420459428.db2.gz SOGRTOTWGVXLTB-ZDUSSCGKSA-N 1 0 340.414 3.033 10 10 EGCERO COc1ccc(C[NH2+]C2(CNC(=O)c3ccc(F)cc3)CC2)cc1C ZINC001716673926 1420830699 /nfs/dbraw/zinc/83/06/99/1420830699.db2.gz GAAWNXOKTSEEHD-UHFFFAOYSA-N 1 0 342.414 3.195 10 10 EGCERO COc1ccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)C(C2CC2)C2CC2)cc1C ZINC001717432230 1421360718 /nfs/dbraw/zinc/36/07/18/1421360718.db2.gz DMMMTKCFDIPHKL-LSDHHAIUSA-N 1 0 344.499 3.423 10 10 EGCERO COc1ccc(C[NH2+]C[C@H](NC(=O)[C@@H](C)C2CCC2)C2CC2)cc1C ZINC001723309129 1424343157 /nfs/dbraw/zinc/34/31/57/1424343157.db2.gz YSIYKLUWNGZXHI-KXBFYZLASA-N 1 0 344.499 3.424 10 10 EGCERO COc1ccc(C[NH2+]C2(C)CCN(C(=O)CCCF)CC2)cc1C ZINC001724956338 1425343148 /nfs/dbraw/zinc/34/31/48/1425343148.db2.gz JQXBBEBZHRYINT-UHFFFAOYSA-N 1 0 336.451 3.224 10 10 EGCERO COc1ccc(C[NH2+][C@@H](CNC(=O)c2cocc2C)C2CC2)cc1C ZINC001731401991 1427363292 /nfs/dbraw/zinc/36/32/92/1427363292.db2.gz INLCKYAKUKBUQT-SFHVURJKSA-N 1 0 342.439 3.203 10 10 EGCERO COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)C(C)=C2CCC2)cc1C ZINC001734322308 1438049064 /nfs/dbraw/zinc/04/90/64/1438049064.db2.gz GHEVUKPLIXEPOW-OAHLLOKOSA-N 1 0 330.472 3.441 10 10 EGCERO COc1ccccc1C[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000071825310 203120699 /nfs/dbraw/zinc/12/06/99/203120699.db2.gz TUYCZMZKGGGNQR-UHFFFAOYSA-N 1 0 344.430 3.085 10 10 EGCERO CCc1nc(C[NH2+]C2CCN(c3ccc(OC)cc3)CC2)cs1 ZINC000071924584 203153482 /nfs/dbraw/zinc/15/34/82/203153482.db2.gz ROFLJIMJUFBMED-UHFFFAOYSA-N 1 0 331.485 3.473 10 10 EGCERO C[C@@H](N[C@@H]1CC[NH2+]C12CCC2)c1cc(Br)c(F)cc1[O-] ZINC000530215555 458719866 /nfs/dbraw/zinc/71/98/66/458719866.db2.gz HLXOSLXESGQWIF-YMTOWFKASA-N 1 0 343.240 3.229 10 10 EGCERO CN(C)c1ccc([C@@H](CNC(=O)c2cccs2)[NH+]2CCCC2)cc1 ZINC000005098003 452835436 /nfs/dbraw/zinc/83/54/36/452835436.db2.gz CMNZQIUFQIOUKC-QGZVFWFLSA-N 1 0 343.496 3.381 10 10 EGCERO CCN(CC)c1ccc(C[N@@H+]2CCO[C@@H]3CC[C@H](OC)C[C@@H]32)cc1 ZINC000245693940 455357479 /nfs/dbraw/zinc/35/74/79/455357479.db2.gz AZFRTJRKENSNCL-SLFFLAALSA-N 1 0 332.488 3.301 10 10 EGCERO CCC[N@@H+](Cc1ccccc1O)C[C@H](O)COCc1ccccc1 ZINC000076074273 453958523 /nfs/dbraw/zinc/95/85/23/453958523.db2.gz AMZRQVWGEWMGBQ-IBGZPJMESA-N 1 0 329.440 3.182 10 10 EGCERO CC[C@H]1CN(C(C)=O)CC[C@H]1[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000089948924 454243875 /nfs/dbraw/zinc/24/38/75/454243875.db2.gz ZWSQGMGZJLAYJT-PZJWPPBQSA-N 1 0 343.515 3.414 10 10 EGCERO CN(C)c1ccc(C[N@H+](C)Cc2cn(C)nc2C(F)(F)F)cc1 ZINC000092068763 454513426 /nfs/dbraw/zinc/51/34/26/454513426.db2.gz XQYNSMROBMQMQT-UHFFFAOYSA-N 1 0 326.366 3.137 10 10 EGCERO CCOc1cccc(C[NH+]2CCC(c3cnn(CC)c3)CC2)c1O ZINC000092809226 454636750 /nfs/dbraw/zinc/63/67/50/454636750.db2.gz YDYLTEVWMUZGNK-UHFFFAOYSA-N 1 0 329.444 3.387 10 10 EGCERO CCN(C)c1ccc([C@@H](C)[NH2+][C@@H]2CCCN(c3cnn(C)c3)C2)cc1 ZINC000166491517 454913041 /nfs/dbraw/zinc/91/30/41/454913041.db2.gz UGYZYTRNXNRRJT-SJLPKXTDSA-N 1 0 341.503 3.196 10 10 EGCERO Cc1cccc(NC(=O)[C@@H]2CCC[N@H+](Cc3cc(F)ccc3O)C2)n1 ZINC000179938117 455102557 /nfs/dbraw/zinc/10/25/57/455102557.db2.gz JAHCTLFKHAUKPG-CQSZACIVSA-N 1 0 343.402 3.085 10 10 EGCERO C[C@H]([NH2+][C@@H]1CCc2ncnn2C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000180594687 455204116 /nfs/dbraw/zinc/20/41/16/455204116.db2.gz ZJKQXFWDSLSHMH-GOEBONIOSA-N 1 0 343.450 3.073 10 10 EGCERO Cc1cc(Cl)cc(C[NH2+][C@@H]2CCO[C@]3(CCSC3)C2)c1O ZINC000182636390 455558128 /nfs/dbraw/zinc/55/81/28/455558128.db2.gz QKSYZDRWKJNLBU-GDBMZVCRSA-N 1 0 327.877 3.498 10 10 EGCERO CC(C)(C)[C@@H](O)C[C@@H](CO)[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000284178493 455646842 /nfs/dbraw/zinc/64/68/42/455646842.db2.gz XLOVZIISVLYUBX-ICSRJNTNSA-N 1 0 343.467 3.307 10 10 EGCERO COc1ccc(N2CCC[N@H+](Cc3ccc(C)nc3C)CC2)cc1 ZINC000186712036 455825255 /nfs/dbraw/zinc/82/52/55/455825255.db2.gz DLOHIPAYSVYLBW-UHFFFAOYSA-N 1 0 325.456 3.419 10 10 EGCERO Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](CC(C)(C)C(N)=O)C2)c1O ZINC000294739902 455826451 /nfs/dbraw/zinc/82/64/51/455826451.db2.gz HCCQVMLUEOFOEU-ZDUSSCGKSA-N 1 0 338.879 3.468 10 10 EGCERO CCCC[N@H+](Cc1ccc(C(=O)OC)cn1)Cc1ccccc1O ZINC000285344313 455828189 /nfs/dbraw/zinc/82/81/89/455828189.db2.gz PMTWFZLKFPJHII-UHFFFAOYSA-N 1 0 328.412 3.376 10 10 EGCERO COC1CCN(c2ccc(C[N@@H+]3CC[C@@H](C)[C@H](OC)C3)cc2)CC1 ZINC000295930630 455863479 /nfs/dbraw/zinc/86/34/79/455863479.db2.gz HEYUAETZRGWPLZ-OXQOHEQNSA-N 1 0 332.488 3.159 10 10 EGCERO Cc1cc(Cl)cc(C[N@H+]2CCC[C@H]2C[C@H](O)c2cnn(C)c2)c1O ZINC000378440688 457397435 /nfs/dbraw/zinc/39/74/35/457397435.db2.gz DHJMDLLYHISPTA-IRXDYDNUSA-N 1 0 349.862 3.176 10 10 EGCERO CC[C@H]1C[N@H+](Cc2ccc(N3CCCCC3)cc2)C[C@@]2(CCOC2)O1 ZINC000376020178 458166531 /nfs/dbraw/zinc/16/65/31/458166531.db2.gz DYLHYARPKGOPLF-LEWJYISDSA-N 1 0 344.499 3.447 10 10 EGCERO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N(C)C2CCC2)C1 ZINC000435805047 458207881 /nfs/dbraw/zinc/20/78/81/458207881.db2.gz ARTBLPYVQBXMHT-UHFFFAOYSA-N 1 0 339.483 3.419 10 10 EGCERO Oc1c(Br)cccc1CNc1ccc2c(c1)OCC[NH2+]C2 ZINC000530180939 458711241 /nfs/dbraw/zinc/71/12/41/458711241.db2.gz FSEHPOZYDPBUIK-UHFFFAOYSA-N 1 0 349.228 3.249 10 10 EGCERO CCOc1cc(C[NH2+]Cc2ccc(OC)cc2O)c(F)cc1OC ZINC000529558295 459830747 /nfs/dbraw/zinc/83/07/47/459830747.db2.gz RVNFGPYPCMDQBP-UHFFFAOYSA-N 1 0 335.375 3.237 10 10 EGCERO Cc1cc(N(C)C)ccc1CNC(=O)NCC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000734528761 575509593 /nfs/dbraw/zinc/50/95/93/575509593.db2.gz CROOCMGFWKQESR-IRXDYDNUSA-N 1 0 346.519 3.123 10 10 EGCERO C[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1Cc1cc2c(cc1O)CCC2 ZINC000738108580 576289427 /nfs/dbraw/zinc/28/94/27/576289427.db2.gz DHBDIKAUCHPNPA-CQSZACIVSA-N 1 0 346.471 3.322 10 10 EGCERO Cc1cncc(/C=C\C(=O)N2C[C@H]3CCC[N@@H+]3Cc3ccccc32)c1 ZINC000255212900 1296510314 /nfs/dbraw/zinc/51/03/14/1296510314.db2.gz XKYOLGHTAARBRA-OLHLWXQYSA-N 1 0 333.435 3.414 10 10 EGCERO CC[C@H]([NH2+]C[C@H]1CCN(c2ccc(OC)cc2)C1)[C@H]1CCCOC1 ZINC000872080841 1296723058 /nfs/dbraw/zinc/72/30/58/1296723058.db2.gz SRIRPKAIKDVNPZ-UWVAXJGDSA-N 1 0 332.488 3.316 10 10 EGCERO COc1ccc(N2CC[C@@H]([NH2+][C@H]3CCOC4(CCCC4)C3)C2)cc1 ZINC000872084923 1296725452 /nfs/dbraw/zinc/72/54/52/1296725452.db2.gz LRHLKDWAUULQQU-DLBZAZTESA-N 1 0 330.472 3.355 10 10 EGCERO Cc1cc(O)c(C[NH2+]C[C@@H]2CC[C@@]3(CO[C@@H](C)C3)O2)c(Cl)c1 ZINC000886330325 1303436355 /nfs/dbraw/zinc/43/63/55/1303436355.db2.gz QQCVWNLHSAIGKH-GDZNZVCISA-N 1 0 325.836 3.170 10 10 EGCERO COC(=O)c1c(C[NH2+]Cc2cnccc2C)c2cc(F)ccc2n1C ZINC000894903916 1309121382 /nfs/dbraw/zinc/12/13/82/1309121382.db2.gz WLXKGVATEHXXNI-UHFFFAOYSA-N 1 0 341.386 3.097 10 10 EGCERO COC(=O)c1cc(C[NH2+]Cc2cc(Cl)c(C)cc2O)n(C)c1C ZINC000895647601 1309447283 /nfs/dbraw/zinc/44/72/83/1309447283.db2.gz WFZWBIWYGSXHED-UHFFFAOYSA-N 1 0 336.819 3.077 10 10 EGCERO C[C@@H]1C[C@@]2(CC[C@H](C[NH2+]Cc3ccc4ccccc4c3O)O2)CO1 ZINC000895818079 1309534397 /nfs/dbraw/zinc/53/43/97/1309534397.db2.gz BLJZGUVDDIXFOE-ZTQAJYAQSA-N 1 0 327.424 3.362 10 10 EGCERO Cc1cc(Br)cc(C[N@@H+]2CC[C@@H]([C@@H]3CCCO3)C2)c1O ZINC000895849457 1309559968 /nfs/dbraw/zinc/55/99/68/1309559968.db2.gz WXPJEPUHKNAZPP-DOMZBBRYSA-N 1 0 340.261 3.464 10 10 EGCERO Cc1nn(C)c(C)c1C[C@@H](C)[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858145829 1328695237 /nfs/dbraw/zinc/69/52/37/1328695237.db2.gz GTEDSZUWRGSVNE-LLVKDONJSA-N 1 0 336.430 3.102 10 10 EGCERO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CO[C@@H](C3CC3)C2)ccc1N1CCCCC1 ZINC000858296454 1328732126 /nfs/dbraw/zinc/73/21/26/1328732126.db2.gz TVSLUPBEFUPNMX-QFBILLFUSA-N 1 0 345.443 3.242 10 10 EGCERO C[C@H]([NH2+]C[C@@H](O)[C@H]1CCCO1)c1ccc(N2CCCCCC2)cc1 ZINC000858469042 1328770021 /nfs/dbraw/zinc/77/00/21/1328770021.db2.gz OAEVYEKVTJHDCG-PWIZWCRZSA-N 1 0 332.488 3.258 10 10 EGCERO C[N@H+](Cc1ccccc1O)CC1(O)CCC(C(=O)OC(C)(C)C)CC1 ZINC000859189664 1328941041 /nfs/dbraw/zinc/94/10/41/1328941041.db2.gz VQEQQXDMXOEQDE-UHFFFAOYSA-N 1 0 349.471 3.087 10 10 EGCERO COc1ccc(N2CC[C@H](C[NH2+][C@@H]3CC[C@H]4COCC[C@H]4C3)C2)cc1 ZINC000922197461 1322476973 /nfs/dbraw/zinc/47/69/73/1322476973.db2.gz UKGXTELELXTLBN-YDZRNGNQSA-N 1 0 344.499 3.316 10 10 EGCERO C[C@@]1([NH2+]Cc2ccc(N3CCOCC3)cc2)CCOc2ccccc21 ZINC000923026084 1322677826 /nfs/dbraw/zinc/67/78/26/1322677826.db2.gz QVMUSHVZNGPSFW-OAQYLSRUSA-N 1 0 338.451 3.311 10 10 EGCERO CC[C@H](C[C@](C)(O)CC)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000924718623 1323132238 /nfs/dbraw/zinc/13/22/38/1323132238.db2.gz ZQDQXBLUTMFIAA-VQIMIIECSA-N 1 0 338.467 3.082 10 10 EGCERO C[C@@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)c1cc(Br)cc(Cl)c1[O-] ZINC000925784248 1325300322 /nfs/dbraw/zinc/30/03/22/1325300322.db2.gz IHTXSZZPWLZDPQ-BBBLOLIVSA-N 1 0 347.684 3.314 10 10 EGCERO C[C@@H](N[C@H]1C[NH2+]CC2(CCOCC2)C1)c1cc2c(cc1O)CCCC2 ZINC000925795388 1325303626 /nfs/dbraw/zinc/30/36/26/1325303626.db2.gz XOKRVTPBJQXTOW-CRAIPNDOSA-N 1 0 344.499 3.080 10 10 EGCERO C[C@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)c1cc(Br)cc(F)c1[O-] ZINC000925796002 1325306378 /nfs/dbraw/zinc/30/63/78/1325306378.db2.gz JKUVXQZMISVDGI-OUAUKWLOSA-N 1 0 345.256 3.190 10 10 EGCERO C[C@H]([NH2+][C@H]1C[C@@](C[NH3+])(c2ccccc2)C1)c1cc(F)cc(F)c1[O-] ZINC000925887222 1325344047 /nfs/dbraw/zinc/34/40/47/1325344047.db2.gz VRLWBZYVGLWYKC-VRHCTWJESA-N 1 0 332.394 3.380 10 10 EGCERO C[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)c1cc(O)cc(F)c1 ZINC000926722944 1327683797 /nfs/dbraw/zinc/68/37/97/1327683797.db2.gz BCTFSIRIRFZKAW-CQSZACIVSA-N 1 0 344.430 3.343 10 10 EGCERO Cc1cc(CC[NH2+][C@@H](C)c2ccc(Br)cc2O)nn1C ZINC000926908747 1327770054 /nfs/dbraw/zinc/77/00/54/1327770054.db2.gz BPZLSAYHLAZGGR-NSHDSACASA-N 1 0 338.249 3.090 10 10 EGCERO C[C@@H]([NH2+]C[C@@H]1C[C@@H]2COC[C@@H]2O1)c1ccc(N2CCCCC2)cc1 ZINC000926946420 1327789656 /nfs/dbraw/zinc/78/96/56/1327789656.db2.gz ULDPGJBLBQBUTC-BEKAIBRUSA-N 1 0 330.472 3.131 10 10 EGCERO C[C@H]([NH2+]CC[C@H]1CNC(=O)C1)c1ccc(N2CCCCCC2)cc1 ZINC000926985126 1327808379 /nfs/dbraw/zinc/80/83/79/1327808379.db2.gz FBEFOAOEZGTMON-DLBZAZTESA-N 1 0 329.488 3.244 10 10 EGCERO Oc1cccc2c1[C@H]([NH2+]CC1(n3cc(Br)cn3)CC1)CC2 ZINC000927006472 1327817386 /nfs/dbraw/zinc/81/73/86/1327817386.db2.gz SJZOJDJKCJRWTH-CYBMUJFWSA-N 1 0 348.244 3.117 10 10 EGCERO C[C@H]([NH2+]C[C@@H](O)c1ccnn1C)c1ccc(N2CCCCCC2)cc1 ZINC000927131518 1327883536 /nfs/dbraw/zinc/88/35/36/1327883536.db2.gz JIJNYKYLYDZLFT-OXJNMPFZSA-N 1 0 342.487 3.185 10 10 EGCERO O=C(NCc1c(O)cccc1F)[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000928708732 1328405198 /nfs/dbraw/zinc/40/51/98/1328405198.db2.gz RSMDNGZVFFQHAV-KRWDZBQOSA-N 1 0 342.414 3.027 10 10 EGCERO OCC[C@H]1CCCCC[N@@H+]1Cc1c(O)cccc1Br ZINC000862360161 1329477852 /nfs/dbraw/zinc/47/78/52/1329477852.db2.gz CCAWKJXJNXOTPW-GFCCVEGCSA-N 1 0 328.250 3.282 10 10 EGCERO COC(=O)c1ccc(F)c2c1CN(Cc1cccc(C)c1O)CC2 ZINC000862468668 1329489246 /nfs/dbraw/zinc/48/92/46/1329489246.db2.gz LECMUQADKMCWRS-UHFFFAOYSA-N 1 0 329.371 3.185 10 10 EGCERO COc1cccc([C@H](O)C2CC[NH+](Cc3ccccc3O)CC2)c1 ZINC000862544762 1329495401 /nfs/dbraw/zinc/49/54/01/1329495401.db2.gz UWXPICJOTBJYDC-HXUWFJFHSA-N 1 0 327.424 3.346 10 10 EGCERO CCOC(=O)c1cc(C[NH2+][C@@H](CC)c2ccc(N(C)C)cc2)on1 ZINC000866514694 1330120561 /nfs/dbraw/zinc/12/05/61/1330120561.db2.gz PTNBPAMZNBIRTI-INIZCTEOSA-N 1 0 331.416 3.158 10 10 EGCERO Cc1ccc(O)c([C@@H](C)[NH2+]C2CCN(CC(=O)OC(C)(C)C)CC2)c1 ZINC000866527462 1330122057 /nfs/dbraw/zinc/12/20/57/1330122057.db2.gz ZJADMSHKHOVWDT-OAHLLOKOSA-N 1 0 348.487 3.157 10 10 EGCERO Cc1ccsc1[C@H](CO)[NH2+]Cc1c(O)cccc1Br ZINC001334890145 1390613599 /nfs/dbraw/zinc/61/35/99/1390613599.db2.gz GTGVLYRQAWAMCQ-LBPRGKRZSA-N 1 0 342.258 3.348 10 10 EGCERO COc1ccc(C[NH2+]C[C@@]2(C)CCN(C(=O)[C@H](C)C3CC3)C2)cc1C ZINC001324705221 1387744436 /nfs/dbraw/zinc/74/44/36/1387744436.db2.gz DSWWVLHAQWICEZ-IIBYNOLFSA-N 1 0 344.499 3.378 10 10 EGCERO C[NH+]1CCN(c2ccc(CNC(=O)C3CCC(C)(C)CC3)cc2)CC1 ZINC001132902508 1375634540 /nfs/dbraw/zinc/63/45/40/1375634540.db2.gz MIDHPHIYCDSECI-UHFFFAOYSA-N 1 0 343.515 3.271 10 10 EGCERO CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1cc2cc(O)c(O)cc2s1 ZINC001136733389 1377418771 /nfs/dbraw/zinc/41/87/71/1377418771.db2.gz WCXOSUZTMZKKJI-ZDUSSCGKSA-N 1 0 348.468 3.307 10 10 EGCERO COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)Cc2ccc(C)o2)cc1C ZINC001283598640 1379044425 /nfs/dbraw/zinc/04/44/25/1379044425.db2.gz OCRYBFDDWVVTIH-HNNXBMFYSA-N 1 0 344.455 3.084 10 10 EGCERO CCOc1ccc(N2CC[NH+](CCOCC3CCCC3)CC2)cc1 ZINC001168331245 1383875019 /nfs/dbraw/zinc/87/50/19/1383875019.db2.gz AMFMIRAYVJRSSQ-UHFFFAOYSA-N 1 0 332.488 3.414 10 10 EGCERO C[N@@H+]1CCC[C@@H]1CNc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1 ZINC001307166259 1383949137 /nfs/dbraw/zinc/94/91/37/1383949137.db2.gz NOHQEBACSBQWHM-MRXNPFEDSA-N 1 0 339.395 3.332 10 10 EGCERO CN(C)c1ccc(C[N@H+](C[C@H]2CCC[C@@]3(CCOC3)O2)C2CC2)cc1 ZINC001307424114 1383988519 /nfs/dbraw/zinc/98/85/19/1383988519.db2.gz MXTCCCAWIAFILD-RTWAWAEBSA-N 1 0 344.499 3.445 10 10 EGCERO CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@H]2[C@@H](O)c2ccccc2)c1O ZINC001307986847 1384068799 /nfs/dbraw/zinc/06/87/99/1384068799.db2.gz DBGWMFDVBNWADQ-ICSRJNTNSA-N 1 0 343.398 3.432 10 10 EGCERO CCCCCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001316994858 1384751539 /nfs/dbraw/zinc/75/15/39/1384751539.db2.gz PNOLUYRFSAPEJO-MRXNPFEDSA-N 1 0 345.447 3.233 10 10 EGCERO C[C@@H]([NH2+]CC(=O)N(C)c1nc2ccccc2s1)c1ccccc1O ZINC001175418954 1385281006 /nfs/dbraw/zinc/28/10/06/1385281006.db2.gz QJQDQLVSANGLMA-GFCCVEGCSA-N 1 0 341.436 3.316 10 10 EGCERO CC[C@@H](CNC(=O)[C@H]1CCC1(C)C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001318560683 1385757176 /nfs/dbraw/zinc/75/71/76/1385757176.db2.gz CAUNPLFWQCIGIK-DLBZAZTESA-N 1 0 332.488 3.424 10 10 EGCERO COc1ccc(C[NH2+]C[C@H](C)CNC(=O)C2CC3(CCC3)C2)cc1C ZINC001319229923 1386015955 /nfs/dbraw/zinc/01/59/55/1386015955.db2.gz QSQVLKFLIKJQMF-HNNXBMFYSA-N 1 0 344.499 3.426 10 10 EGCERO COc1ccc(C[NH2+][C@@H](CNC(=O)[C@@H]2CC2(C)C)C(C)C)cc1C ZINC001319902832 1386377607 /nfs/dbraw/zinc/37/76/07/1386377607.db2.gz DIXDGRAVDAVHIZ-IRXDYDNUSA-N 1 0 332.488 3.280 10 10 EGCERO CC/C=C/CC[NH2+][C@H](C)[C@@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001329201431 1389017867 /nfs/dbraw/zinc/01/78/67/1389017867.db2.gz BSJAWUKRFHMQAV-DPXYCUCRSA-N 1 0 345.447 3.302 10 10 EGCERO CN(C)c1ccc([C@@H](CNC(=O)NC2CCC=CCC2)[NH+](C)C)cc1 ZINC001479354314 1392223947 /nfs/dbraw/zinc/22/39/47/1392223947.db2.gz BJMLLBBKDXTBFI-LJQANCHMSA-N 1 0 344.503 3.153 10 10 EGCERO COc1ccc(C[NH2+][C@H](C)CCNC(=O)C[C@@H]2C=CCC2)cc1C ZINC001480747401 1392911652 /nfs/dbraw/zinc/91/16/52/1392911652.db2.gz OFJSJTZRYSALQL-IAGOWNOFSA-N 1 0 330.472 3.344 10 10 EGCERO COc1ccc(C[NH2+]CCN(C)C(=O)C[C@H](C)n2cccc2)cc1C ZINC001481305681 1393160872 /nfs/dbraw/zinc/16/08/72/1393160872.db2.gz NOUBBFUVBBECBQ-KRWDZBQOSA-N 1 0 343.471 3.004 10 10 EGCERO CC[C@H](F)C(=O)N[C@](C)(C[NH2+]Cc1ccc(OC)c(C)c1)C1CC1 ZINC001481937662 1394604688 /nfs/dbraw/zinc/60/46/88/1394604688.db2.gz QHJXPMNTUDMXTA-QFBILLFUSA-N 1 0 336.451 3.126 10 10 EGCERO C[C@@H](CCNC(=O)c1ccc(N=NC(N)=O)cc1)[NH2+]CC1CCCC1 ZINC001503651399 1396261567 /nfs/dbraw/zinc/26/15/67/1396261567.db2.gz JHQAXKRHENNKGI-ZDUSSCGKSA-N 1 0 345.447 3.137 10 10 EGCERO C[C@H]1CCC(C)(C)N1C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001687807805 1396498866 /nfs/dbraw/zinc/49/88/66/1396498866.db2.gz VZLPTJNENCZNPQ-MAUKXSAKSA-N 1 0 346.519 3.328 10 10 EGCERO COc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)C[C@@H](C)SC)cc1C ZINC001496042921 1396590885 /nfs/dbraw/zinc/59/08/85/1396590885.db2.gz LXYFQUCELJYYKP-LSDHHAIUSA-N 1 0 338.517 3.082 10 10 EGCERO COc1ccc(C[NH2+]C[C@@H](NC(=O)[C@H](C)C(C)C)C2CC2)cc1C ZINC001498828620 1397043616 /nfs/dbraw/zinc/04/36/16/1397043616.db2.gz CXPOANHNBUWQIA-CRAIPNDOSA-N 1 0 332.488 3.280 10 10 EGCERO COc1ccc(C[NH2+][C@H]2C[C@@H](CNC(=O)C3(C)CC=CC3)C2)cc1C ZINC001691111802 1405052583 /nfs/dbraw/zinc/05/25/83/1405052583.db2.gz QTFIFIOIKBMJNO-HDICACEKSA-N 1 0 342.483 3.344 10 10 EGCERO CCC[NH2+]CC[C@@H]1CCCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001732289241 1428515716 /nfs/dbraw/zinc/51/57/16/1428515716.db2.gz SNWXQTIOVYOIHL-AWEZNQCLSA-N 1 0 345.447 3.091 10 10 EGCERO COc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)C2CC3(CC3)C2)cc1C ZINC001732436974 1428580249 /nfs/dbraw/zinc/58/02/49/1428580249.db2.gz KZZWVASJMAYSKS-HNNXBMFYSA-N 1 0 330.472 3.130 10 10 EGCERO COc1ccc(C[NH2+]CCCN(C)C(=O)[C@@]2(C)C=CCC2)cc1C ZINC001699527825 1412906221 /nfs/dbraw/zinc/90/62/21/1412906221.db2.gz JPJMCNRFJRICEI-FQEVSTJZSA-N 1 0 330.472 3.298 10 10 EGCERO COc1ccc(C[NH2+][C@H]2C[C@@H](CNC(=O)C[C@@H]3C=CCC3)C2)cc1C ZINC001707060287 1417175747 /nfs/dbraw/zinc/17/57/47/1417175747.db2.gz RSTKGFCYJMLJAC-QRQLOZEOSA-N 1 0 342.483 3.344 10 10 EGCERO COc1ccc(C[NH2+][C@@H](CNC(=O)c2occc2C)C2CC2)cc1C ZINC001713105502 1417665170 /nfs/dbraw/zinc/66/51/70/1417665170.db2.gz NXACFPNBHDKFFP-KRWDZBQOSA-N 1 0 342.439 3.203 10 10 EGCERO COc1ccc(C[NH2+]C[C@H](NC(=O)[C@H]2CCC2(C)C)C2CC2)cc1C ZINC001733179524 1429281354 /nfs/dbraw/zinc/28/13/54/1429281354.db2.gz JXLRJFOSCBFFLB-MSOLQXFVSA-N 1 0 344.499 3.424 10 10 EGCERO COc1ccc(C[NH2+][C@@H](C)CNC(=O)C23CCC(CC2)C3)cc1C ZINC001714247323 1419033877 /nfs/dbraw/zinc/03/38/77/1419033877.db2.gz URLJHLOUJKPJBA-SHPPYHEDSA-N 1 0 330.472 3.178 10 10 EGCERO COc1ccc(C[NH2+]C[C@H](C)CNC(=O)C2(C)CC=CC2)cc1C ZINC001714427967 1419161324 /nfs/dbraw/zinc/16/13/24/1419161324.db2.gz PRZULHBWQJWIQN-HNNXBMFYSA-N 1 0 330.472 3.202 10 10 EGCERO COc1ccc(C[NH2+]C[C@H](C)CNC(=O)c2cccc(C)c2)cc1C ZINC001715221480 1419955099 /nfs/dbraw/zinc/95/50/99/1419955099.db2.gz MGOBDBCCFVWALN-INIZCTEOSA-N 1 0 340.467 3.468 10 10 EGCERO COc1ccc(C[NH2+][C@H](CNC(=O)[C@H]2C[C@H]3C[C@H]3C2)C(C)C)cc1C ZINC001715502241 1420184764 /nfs/dbraw/zinc/18/47/64/1420184764.db2.gz MQLITOPTOVJNSV-YDZRNGNQSA-N 1 0 344.499 3.280 10 10 EGCERO COc1ccc(C[NH2+][C@H](CNC(=O)CC2(C)CC2)C(C)C)cc1C ZINC001715619574 1420267443 /nfs/dbraw/zinc/26/74/43/1420267443.db2.gz BJSXOBKPUVAVLI-QGZVFWFLSA-N 1 0 332.488 3.424 10 10 EGCERO C[C@@H](CC[NH2+]CC1CCCC1)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001715711730 1420305881 /nfs/dbraw/zinc/30/58/81/1420305881.db2.gz FMCJTYGBBHTUDW-ZDUSSCGKSA-N 1 0 345.447 3.137 10 10 EGCERO COc1ccc(C[NH2+][C@H](CNC(=O)[C@H](F)C(C)C)C(C)C)cc1C ZINC001715716669 1420308779 /nfs/dbraw/zinc/30/87/79/1420308779.db2.gz FAIPVRAQXMILFT-SJLPKXTDSA-N 1 0 338.467 3.228 10 10 EGCERO COc1ccc(C[NH2+]C/C=C\CNC(=O)c2ccoc2Cl)cc1C ZINC001715808342 1420351811 /nfs/dbraw/zinc/35/18/11/1420351811.db2.gz GZTLCNYBQRNZQS-ARJAWSKDSA-N 1 0 348.830 3.326 10 10 EGCERO COc1ccc(C[NH2+]C[C@@]2(C)CCN(C(=O)CC3CC3)C2)cc1C ZINC001716856202 1420987875 /nfs/dbraw/zinc/98/78/75/1420987875.db2.gz XVCUMRBWZUAUPC-HXUWFJFHSA-N 1 0 330.472 3.132 10 10 EGCERO COc1ccc(C[NH2+]CC[C@@H]2CCN(C(=O)C3CC(C)C3)C2)cc1C ZINC001717079455 1421102099 /nfs/dbraw/zinc/10/20/99/1421102099.db2.gz PITLXXNZZFISFP-URSIVYNOSA-N 1 0 344.499 3.378 10 10 EGCERO C[C@H](NC(=O)c1ccc(N=NC(N)=O)cc1)[C@H](C)[NH2+]CCC(C)(C)C ZINC001717440646 1421369699 /nfs/dbraw/zinc/36/96/99/1421369699.db2.gz DRFCBKNFHHGRNT-STQMWFEESA-N 1 0 347.463 3.382 10 10 EGCERO COc1ccc(C[NH2+][C@@H](C)[C@H](C)NC(=O)c2cc(Cl)c[nH]2)cc1C ZINC001725078368 1425517329 /nfs/dbraw/zinc/51/73/29/1425517329.db2.gz FEQXKKHXEXMNNW-STQMWFEESA-N 1 0 349.862 3.282 10 10 EGCERO C[C@@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)[N@H+](C)CC1CCCC1 ZINC001725199280 1425755456 /nfs/dbraw/zinc/75/54/56/1425755456.db2.gz ALYDBEDYLRZARD-ZDUSSCGKSA-N 1 0 345.447 3.089 10 10 EGCERO CCC(C)(C)C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001725366196 1426016197 /nfs/dbraw/zinc/01/61/97/1426016197.db2.gz YICMIYDFZIZSEW-QAQDUYKDSA-N 1 0 332.488 3.424 10 10 EGCERO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)CCCC3CC3)C2)cc1C ZINC001731449710 1427426851 /nfs/dbraw/zinc/42/68/51/1427426851.db2.gz DGPDNQWZFNSOPG-IYARVYRRSA-N 1 0 330.472 3.321 10 10 EGCERO COc1ccc(C[NH2+][C@H](C)[C@H](C)NC(=O)C2(CCF)CC2)cc1C ZINC001733986877 1437782983 /nfs/dbraw/zinc/78/29/83/1437782983.db2.gz YTSANGRANBMVTB-CABCVRRESA-N 1 0 336.451 3.126 10 10 EGCERO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2ccc(N(C)C)c(C)c2)cc1 ZINC001620624141 1126241689 /nfs/dbraw/zinc/24/16/89/1126241689.db2.gz PWAOSRUBMOARCK-NRFANRHFSA-N 1 0 342.483 3.153 10 10 EGCERO Cc1cc2n(n1)C[C@@H](C[NH2+]Cc1ccc(N3CCCCC3)cc1)CN2 ZINC000069817136 454149320 /nfs/dbraw/zinc/14/93/20/454149320.db2.gz SMNPIAKGXNQHDA-SFHVURJKSA-N 1 0 339.487 3.013 10 10 EGCERO COc1cc(C[NH2+]Cc2ccc(N(C)C)c(F)c2)cc(OC)c1OC ZINC000058208815 454171365 /nfs/dbraw/zinc/17/13/65/454171365.db2.gz JEXDISNTEVLSGE-UHFFFAOYSA-N 1 0 348.418 3.207 10 10 EGCERO CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(N3CCCCCC3)cc2)[C@H](C)C1 ZINC000089937496 454240281 /nfs/dbraw/zinc/24/02/81/454240281.db2.gz WBEGZDSPKJZTFM-DYESRHJHSA-N 1 0 343.515 3.414 10 10 EGCERO Cc1ccc(O)c(C[N@@H+]2CCCN(C(=O)c3cccs3)CC2)c1 ZINC000093385909 454709496 /nfs/dbraw/zinc/70/94/96/454709496.db2.gz QUBHJHWRCUZIPT-UHFFFAOYSA-N 1 0 330.453 3.110 10 10 EGCERO c1ncn(C[C@H]2CCC[N@H+](Cc3ccc(N4CCCCC4)cc3)C2)n1 ZINC000128460842 455058384 /nfs/dbraw/zinc/05/83/84/455058384.db2.gz DXGBUXYHPXBCLZ-IBGZPJMESA-N 1 0 339.487 3.181 10 10 EGCERO COc1ccc(O)c(C[N@@H+]2CCC[C@@H](C(=O)Nc3ccccc3)C2)c1 ZINC000179639737 455063700 /nfs/dbraw/zinc/06/37/00/455063700.db2.gz GJKXMEKGQOJODQ-OAHLLOKOSA-N 1 0 340.423 3.252 10 10 EGCERO Cc1cc(Cl)cc(C[N@H+]2CCC[C@H](CNC(=O)C(C)C)C2)c1O ZINC000179931272 455100825 /nfs/dbraw/zinc/10/08/25/455100825.db2.gz AXJSUSSQJTUMMJ-CQSZACIVSA-N 1 0 338.879 3.338 10 10 EGCERO C[C@H]([NH2+][C@H]1CCc2ncnn2C1)c1ccc(N2CCCCCC2)cc1 ZINC000180602605 455205887 /nfs/dbraw/zinc/20/58/87/455205887.db2.gz WLBSBZBIVXTUDI-WMZOPIPTSA-N 1 0 339.487 3.324 10 10 EGCERO C[C@H]([NH2+][C@H]1CCN(Cc2ccccn2)C[C@@H]1C)c1ccccc1O ZINC000183517462 455302532 /nfs/dbraw/zinc/30/25/32/455302532.db2.gz DHPKXFIATQNYQP-BXWFABGCSA-N 1 0 325.456 3.348 10 10 EGCERO COc1cc(Cl)cc(C[N@@H+]2CC[C@@H](CNc3ccccn3)C2)c1O ZINC000184686914 455427697 /nfs/dbraw/zinc/42/76/97/455427697.db2.gz TUJYMLVAHAYELV-ZDUSSCGKSA-N 1 0 347.846 3.383 10 10 EGCERO C[C@H]([NH2+]Cc1cccnc1-n1ccnc1)c1cc(Cl)ccc1O ZINC000184989274 455483064 /nfs/dbraw/zinc/48/30/64/455483064.db2.gz DAVCJFWFFRSVFY-LBPRGKRZSA-N 1 0 328.803 3.477 10 10 EGCERO CC(=O)N1CC[C@@H]([NH2+]Cc2cc(F)ccc2O)c2ccc(F)cc2C1 ZINC000185606214 455584475 /nfs/dbraw/zinc/58/44/75/455584475.db2.gz CVNATWXTIJNLLK-GOSISDBHSA-N 1 0 346.377 3.254 10 10 EGCERO COc1ccccc1N1CC[C@H]([NH2+][C@H](C)c2cc(F)ccc2O)C1 ZINC000185712455 455603175 /nfs/dbraw/zinc/60/31/75/455603175.db2.gz KFUJRQDSEUQDSV-HIFRSBDPSA-N 1 0 330.403 3.469 10 10 EGCERO CC(C)c1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1cc(Cl)ccc1O)CC2 ZINC000185996543 455670413 /nfs/dbraw/zinc/67/04/13/455670413.db2.gz HJGJXBFUEMSCGN-YPMHNXCESA-N 1 0 334.851 3.426 10 10 EGCERO CCc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1ccc3ccccc3c1O)CC2 ZINC000185995501 455670756 /nfs/dbraw/zinc/67/07/56/455670756.db2.gz FODLCONYDPQDGP-HIFRSBDPSA-N 1 0 336.439 3.365 10 10 EGCERO CCc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1ccc3ccccc3c1O)CC2 ZINC000185995443 455670830 /nfs/dbraw/zinc/67/08/30/455670830.db2.gz FODLCONYDPQDGP-DZGCQCFKSA-N 1 0 336.439 3.365 10 10 EGCERO CC(C)c1nnc2n1C[C@@H]([NH2+][C@@H](C)c1cc(Cl)ccc1O)CC2 ZINC000186293167 455735853 /nfs/dbraw/zinc/73/58/53/455735853.db2.gz DOEOXSWPCYNDFD-AAEUAGOBSA-N 1 0 334.851 3.426 10 10 EGCERO Cc1nocc1C[NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000293733942 455796192 /nfs/dbraw/zinc/79/61/92/455796192.db2.gz ZMXUPBWJLJFYIB-BETUJISGSA-N 1 0 333.407 3.026 10 10 EGCERO CC[C@H]([NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F)[C@H](O)C(F)F ZINC000295062776 455837478 /nfs/dbraw/zinc/83/74/78/455837478.db2.gz OMLPXSSACZPHJX-STQMWFEESA-N 1 0 340.336 3.266 10 10 EGCERO COC[C@](C)(CCO)[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000295829118 455860809 /nfs/dbraw/zinc/86/08/09/455860809.db2.gz VGPAMTHQOSWVKR-IBGZPJMESA-N 1 0 348.512 3.262 10 10 EGCERO CC(C)(C)OC(=O)N1CC[C@@H](C[NH2+][C@@H]2CCc3cccc(O)c32)C1 ZINC000296270214 455896016 /nfs/dbraw/zinc/89/60/16/455896016.db2.gz CCKHKJFPYNGRLE-DZGCQCFKSA-N 1 0 332.444 3.226 10 10 EGCERO CCN(CC)c1ccc(CNC(=O)CC2CC[NH+](C)CC2)cc1F ZINC000273233056 456219940 /nfs/dbraw/zinc/21/99/40/456219940.db2.gz OWDNLBUSLPVMGP-UHFFFAOYSA-N 1 0 335.467 3.020 10 10 EGCERO C[C@H]([NH2+]CCS(=O)(=O)c1ccccc1)c1cc(Cl)ccc1O ZINC000273301202 456222732 /nfs/dbraw/zinc/22/27/32/456222732.db2.gz BOMCGQJIFQBKPU-LBPRGKRZSA-N 1 0 339.844 3.170 10 10 EGCERO Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@H](O)C(F)(F)F)c1O ZINC000275320143 456272760 /nfs/dbraw/zinc/27/27/60/456272760.db2.gz KUVUTAGUKAUCKK-XCBNKYQSSA-N 1 0 342.155 3.037 10 10 EGCERO CC(C)(C)OC(=O)N1CCC2(CC[N@@H+]2Cc2ccccc2O)CC1 ZINC000291064854 456517027 /nfs/dbraw/zinc/51/70/27/456517027.db2.gz QDDFMSVHDFKCEA-UHFFFAOYSA-N 1 0 332.444 3.368 10 10 EGCERO COc1cccc(C[N@@H+]2CCC[C@@]3(C2)OCc2ccccc23)c1O ZINC000363953354 457465907 /nfs/dbraw/zinc/46/59/07/457465907.db2.gz QDVXSKPEPHXUKB-FQEVSTJZSA-N 1 0 325.408 3.422 10 10 EGCERO CC(C)n1ncc2c1C[C@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)CC2 ZINC000365131992 457727920 /nfs/dbraw/zinc/72/79/20/457727920.db2.gz KVDMYBLWZBOYOJ-MRXNPFEDSA-N 1 0 330.451 3.316 10 10 EGCERO Oc1cc2c(cc1C[NH2+][C@@H]1[C@H]3Cc4cc(Cl)ccc4[C@@H]13)OCO2 ZINC000527750307 459723935 /nfs/dbraw/zinc/72/39/35/459723935.db2.gz VGXKOJLABSMJJV-MORSLUCNSA-N 1 0 329.783 3.202 10 10 EGCERO COc1cc(Br)cc(C[NH2+][C@H]2[C@@H](C)[C@@H](C)O[C@H]2C)c1O ZINC000527806608 459743320 /nfs/dbraw/zinc/74/33/20/459743320.db2.gz YGENNFZAJLBUQV-JIXVBMEVSA-N 1 0 344.249 3.065 10 10 EGCERO CC[NH+](CC)CCCNc1c2ccccc2[n+]([O-])c2cc(N)ccc21 ZINC000584631445 459777054 /nfs/dbraw/zinc/77/70/54/459777054.db2.gz XHXLURHRBQAFIF-UHFFFAOYSA-N 1 0 338.455 3.352 10 10 EGCERO COc1ccc(CN2CC[C@@H]2C[NH2+][C@@H]2CCc3cccc(O)c32)cc1 ZINC000527965485 459783697 /nfs/dbraw/zinc/78/36/97/459783697.db2.gz MOSPCYOEKLSLHL-IEBWSBKVSA-N 1 0 338.451 3.252 10 10 EGCERO CC(C)(C)[C@H]1CN(C(=O)c2cn[nH]c2[C@@H]2CC[NH2+]C2)c2ccccc21 ZINC000662545338 461291656 /nfs/dbraw/zinc/29/16/56/461291656.db2.gz OVTSATHNPCJGLE-CJNGLKHVSA-N 1 0 338.455 3.277 10 10 EGCERO Cc1cc(Br)cc([C@H](C)[NH2+]CC2(C)OCCCO2)c1O ZINC000754125296 575008621 /nfs/dbraw/zinc/00/86/21/575008621.db2.gz YACLJKHCWHUZAR-NSHDSACASA-N 1 0 344.249 3.267 10 10 EGCERO COc1ccc(O)c([C@@H](C)NC(=O)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)c1 ZINC000730825498 575025387 /nfs/dbraw/zinc/02/53/87/575025387.db2.gz DYRYMEWGJAKMMN-QLFBSQMISA-N 1 0 349.475 3.024 10 10 EGCERO CC[N@@H+](Cc1c(O)c(C(=O)OC)cc2ccccc21)C[C@H]1CCOC1 ZINC000738082238 576286117 /nfs/dbraw/zinc/28/61/17/576286117.db2.gz PLUFMNAARGUDNJ-CQSZACIVSA-N 1 0 343.423 3.190 10 10 EGCERO C[N@@H+](Cc1ccccc1O)C[C@@H](O)Cc1ccccc1C(F)(F)F ZINC000157250133 1294172989 /nfs/dbraw/zinc/17/29/89/1294172989.db2.gz FHQMAVUHPBBZSE-HNNXBMFYSA-N 1 0 339.357 3.446 10 10 EGCERO COc1cc(C)cc(C[NH+]2CCN(Cc3cccc(F)c3)CC2)c1O ZINC000178901578 1294762604 /nfs/dbraw/zinc/76/26/04/1294762604.db2.gz YNBVGZWJYXOVOE-UHFFFAOYSA-N 1 0 344.430 3.166 10 10 EGCERO COc1ccc(N2CC[NH+](Cc3c[nH]nc3-c3ccccc3)CC2)cc1 ZINC000179530162 1294802477 /nfs/dbraw/zinc/80/24/77/1294802477.db2.gz BXFSJJLOKYCGLU-UHFFFAOYSA-N 1 0 348.450 3.408 10 10 EGCERO Oc1cc(OCc2ccccc2)ccc1C[NH2+][C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000273147410 1296710882 /nfs/dbraw/zinc/71/08/82/1296710882.db2.gz GSIRODRGRQMZCI-GGPKGHCWSA-N 1 0 325.408 3.381 10 10 EGCERO COC(=O)c1c(C[NH2+][C@H]2CCC(F)(F)C2)c2cc(F)ccc2n1C ZINC000894349878 1306355171 /nfs/dbraw/zinc/35/51/71/1306355171.db2.gz IVRDXGWKSJKYKZ-NSHDSACASA-N 1 0 340.345 3.381 10 10 EGCERO Cc1cc(O)c(C[NH2+]C[C@H]2CCC3(CCOCC3)CO2)cc1Cl ZINC000895536584 1309388299 /nfs/dbraw/zinc/38/82/99/1309388299.db2.gz LQUKVUZQPANVDX-OAHLLOKOSA-N 1 0 339.863 3.419 10 10 EGCERO Cc1cc(O)c(C[NH2+]C[C@@H]2CC[C@@]3(CO[C@H](C)C3)O2)cc1Cl ZINC000895817916 1309533098 /nfs/dbraw/zinc/53/30/98/1309533098.db2.gz MPTOOVMOTBMASE-HACGYAERSA-N 1 0 325.836 3.170 10 10 EGCERO CC[NH+]1CCC(CCNC(=O)c2cc3cc(O)c(O)cc3s2)CC1 ZINC000896680342 1309972436 /nfs/dbraw/zinc/97/24/36/1309972436.db2.gz UKFHNQAMKZFNIG-UHFFFAOYSA-N 1 0 348.468 3.164 10 10 EGCERO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000896694343 1309975423 /nfs/dbraw/zinc/97/54/23/1309975423.db2.gz XLGPCTCCFYCRFO-ZDUSSCGKSA-N 1 0 348.468 3.259 10 10 EGCERO COc1cc(Br)cc(C[NH2+][C@@H](C)c2ccns2)c1O ZINC000858317390 1328735811 /nfs/dbraw/zinc/73/58/11/1328735811.db2.gz NBFMVRDXKCRMCY-QMMMGPOBSA-N 1 0 343.246 3.471 10 10 EGCERO COc1cccc([C@@H](C)[NH2+]C[C@H](n2cccn2)C(F)(F)F)c1O ZINC000858448832 1328765303 /nfs/dbraw/zinc/76/53/03/1328765303.db2.gz GVGSDOBUAUFNNM-MFKMUULPSA-N 1 0 329.322 3.052 10 10 EGCERO C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1)c1ccc(F)nc1 ZINC000930210572 1328812844 /nfs/dbraw/zinc/81/28/44/1328812844.db2.gz OHKFPNFDDXTVPZ-LSDHHAIUSA-N 1 0 329.419 3.469 10 10 EGCERO CCc1[nH]nc(Cl)c1C[NH2+][C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000922238446 1322485222 /nfs/dbraw/zinc/48/52/22/1322485222.db2.gz SVYAOGNPFUCBEM-GFCCVEGCSA-N 1 0 334.851 3.003 10 10 EGCERO c1cc2c(cc1C[NH2+]CC[C@H]1CCC3(CCOCC3)CO1)CCCO2 ZINC000922339976 1322505523 /nfs/dbraw/zinc/50/55/23/1322505523.db2.gz AUXDANWCPOPTHV-LJQANCHMSA-N 1 0 345.483 3.467 10 10 EGCERO CN(C)c1cc(F)c(C[NH2+]C[C@@H]2CC[C@@H](C(F)(F)F)O2)cc1F ZINC000922454087 1322531274 /nfs/dbraw/zinc/53/12/74/1322531274.db2.gz BCGPHEFTMVWVFN-HZMBPMFUSA-N 1 0 338.320 3.230 10 10 EGCERO CN(C)c1cc(F)c(C[NH2+]C[C@@]2(c3ccccc3)C[C@@H](O)C2)cc1F ZINC000922534246 1322551148 /nfs/dbraw/zinc/55/11/48/1322551148.db2.gz JBMAOKSSIHRVKZ-UKIBZPOASA-N 1 0 346.421 3.213 10 10 EGCERO Fc1cc(C[NH2+]C[C@@H]2CCCC3(CCC3)O2)ccc1N1CCOCC1 ZINC000922814581 1322625485 /nfs/dbraw/zinc/62/54/85/1322625485.db2.gz YJBNNZWMDGGENF-KRWDZBQOSA-N 1 0 348.462 3.244 10 10 EGCERO C[C@H]([NH2+]Cc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)c1ccnnc1 ZINC000924713867 1323128369 /nfs/dbraw/zinc/12/83/69/1323128369.db2.gz GTQLXZUSRPZACF-KFWWJZLASA-N 1 0 344.434 3.080 10 10 EGCERO COc1ccc(N2CC[C@@H]([NH2+][C@H]3CCCc4oc(C)nc43)C2)cc1 ZINC000926680443 1327662463 /nfs/dbraw/zinc/66/24/63/1327662463.db2.gz OKWXMTTWJMFDTN-PBHICJAKSA-N 1 0 327.428 3.238 10 10 EGCERO CCS(=O)(=O)c1ccccc1CC[NH2+][C@H](C)c1cc(C)ccc1O ZINC000926909327 1327770010 /nfs/dbraw/zinc/77/00/10/1327770010.db2.gz OGJBILZIIVLYKC-OAHLLOKOSA-N 1 0 347.480 3.388 10 10 EGCERO Cc1c(C[NH2+]Cc2ccc(N3CCC(CO)CC3)cc2)ccnc1F ZINC000862275161 1329473318 /nfs/dbraw/zinc/47/33/18/1329473318.db2.gz MGTIWZKKYDWKJH-UHFFFAOYSA-N 1 0 343.446 3.028 10 10 EGCERO Cc1cc(Cl)cc(CN2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1O ZINC000863646365 1329570170 /nfs/dbraw/zinc/57/01/70/1329570170.db2.gz RWKGDZGPWUONRF-WCQYABFASA-N 1 0 336.785 3.313 10 10 EGCERO COc1ccc(N2CC[C@H]([NH2+][C@H](C)CCc3cccnc3)C2)cc1 ZINC000866384353 1330104555 /nfs/dbraw/zinc/10/45/55/1330104555.db2.gz AITCOOGOYSXUPS-AEFFLSMTSA-N 1 0 325.456 3.280 10 10 EGCERO Cc1cc(Br)cc([C@H](C)[NH2+]CC[C@@H](O)C(F)F)c1O ZINC000866442179 1330112914 /nfs/dbraw/zinc/11/29/14/1330112914.db2.gz GJNFXHIEAKVYKO-GZMMTYOYSA-N 1 0 338.192 3.130 10 10 EGCERO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(CN3CCNC3=O)cc2)c1 ZINC000866576643 1330129024 /nfs/dbraw/zinc/12/90/24/1330129024.db2.gz KYSCAUGQQMUDBY-OAHLLOKOSA-N 1 0 339.439 3.077 10 10 EGCERO COc1ccc(C[NH2+]C2(CNC(=O)C(C3CC3)C3CC3)CC2)cc1C ZINC001323592411 1387398594 /nfs/dbraw/zinc/39/85/94/1387398594.db2.gz RMDLDGYIAAAPQA-UHFFFAOYSA-N 1 0 342.483 3.178 10 10 EGCERO Cc1c(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccccc2O)cccc1[N+](=O)[O-] ZINC001197003453 1368730107 /nfs/dbraw/zinc/73/01/07/1368730107.db2.gz HMOPVLOPWKGDPH-QWHCGFSZSA-N 1 0 343.383 3.287 10 10 EGCERO CO[C@H]1CC[C@H]([NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC001116747637 1370965957 /nfs/dbraw/zinc/96/59/57/1370965957.db2.gz GCNYTMXGSTVOGP-HOTGVXAUSA-N 1 0 333.432 3.242 10 10 EGCERO Oc1cc2c(cc1C[N@@H+](Cc1ccccc1F)CC1CC1)[C@H](O)CO2 ZINC001118531469 1371194109 /nfs/dbraw/zinc/19/41/09/1371194109.db2.gz GWDBWBLDZRANBR-LJQANCHMSA-N 1 0 343.398 3.369 10 10 EGCERO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]Cc1ccnc(-n2cncn2)c1 ZINC001118933861 1371253242 /nfs/dbraw/zinc/25/32/42/1371253242.db2.gz UZNJFLLPNIYDGO-HIFRSBDPSA-N 1 0 335.411 3.014 10 10 EGCERO CC[NH+](CC)CC[C@@H](C)NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC001124046011 1372664871 /nfs/dbraw/zinc/66/48/71/1372664871.db2.gz BSSNDWGEWWEGLB-LLVKDONJSA-N 1 0 336.457 3.163 10 10 EGCERO COc1ccc(C[NH2+]C2(CNC(=O)c3cc[nH]c3C)CCC2)cc1C ZINC001326802068 1388315857 /nfs/dbraw/zinc/31/58/57/1388315857.db2.gz ONACMHVUOGRERJ-UHFFFAOYSA-N 1 0 341.455 3.082 10 10 EGCERO CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+][C@H]2C[C@@H](C)c3c2c(O)ccc3C)C1 ZINC001327227573 1388453705 /nfs/dbraw/zinc/45/37/05/1388453705.db2.gz HBTCPIBWTWYNTI-ALYAQQCSSA-N 1 0 333.472 3.405 10 10 EGCERO CN(C)c1ccc([C@H](CNC(=O)C23CCC(CC2)CC3)[NH+](C)C)cc1 ZINC001134686592 1376658049 /nfs/dbraw/zinc/65/80/49/1376658049.db2.gz PHTAKNWLIZWEJP-BSLVTKGXSA-N 1 0 343.515 3.442 10 10 EGCERO C[C@@H]1CC[C@@H](CC(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)C1 ZINC001134686380 1376658104 /nfs/dbraw/zinc/65/81/04/1376658104.db2.gz IPUPEXTVKIUVNA-MDZRGWNJSA-N 1 0 331.504 3.298 10 10 EGCERO COc1ccc(C[NH2+]CCN(C)C(=O)[C@H]2CCCC23CC3)cc1C ZINC001266741243 1377371458 /nfs/dbraw/zinc/37/14/58/1377371458.db2.gz OAXFCZJHLTXSTL-QGZVFWFLSA-N 1 0 330.472 3.132 10 10 EGCERO Cc1cc(C[NH+](C)C)cc(NC(=O)c2ccc(N=NC(N)=O)cc2)c1 ZINC001137562808 1377565936 /nfs/dbraw/zinc/56/59/36/1377565936.db2.gz LWOQIZMABDKCBX-UHFFFAOYSA-N 1 0 339.399 3.471 10 10 EGCERO COc1ccc(C[NH2+]CCC[C@H](C)NC(=O)c2cccn2C)cc1C ZINC001283124603 1378738750 /nfs/dbraw/zinc/73/87/50/1378738750.db2.gz DULQTFHFYOFOEM-INIZCTEOSA-N 1 0 343.471 3.030 10 10 EGCERO CC[C@H](SC)C(=O)N(C)C[C@@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001283599373 1379044644 /nfs/dbraw/zinc/04/46/44/1379044644.db2.gz TVDHFDPXMGYZGC-PBHICJAKSA-N 1 0 338.517 3.082 10 10 EGCERO CC[C@@H](C)[C@H](C)[NH+]1CCN(c2cc(OC)c(OC)c(OC)c2)CC1 ZINC001169072467 1384103562 /nfs/dbraw/zinc/10/35/62/1384103562.db2.gz JNEBJPNEOGXROX-CABCVRRESA-N 1 0 336.476 3.269 10 10 EGCERO COc1ccc(N(C)CC[N@H+](C)C[C@@H](O)c2ccc(C)cc2)cc1 ZINC001171729606 1384616285 /nfs/dbraw/zinc/61/62/85/1384616285.db2.gz MAIHBWAKIHVABU-HXUWFJFHSA-N 1 0 328.456 3.105 10 10 EGCERO COc1ccc(N(C)CC[N@H+](C)C[C@H](O)c2cccc(C)c2)cc1 ZINC001171729615 1384616328 /nfs/dbraw/zinc/61/63/28/1384616328.db2.gz MFGQAHWBUVKLSV-FQEVSTJZSA-N 1 0 328.456 3.105 10 10 EGCERO CCN(C)c1ccc(C[N@@H+]2CCc3cc(C(=O)OC)ccc3C2)cc1 ZINC001175821088 1385413621 /nfs/dbraw/zinc/41/36/21/1385413621.db2.gz GJVJUEUZTBFHNY-UHFFFAOYSA-N 1 0 338.451 3.488 10 10 EGCERO CC[C@H](CNC(=O)CC(C)(F)F)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001318571403 1385765269 /nfs/dbraw/zinc/76/52/69/1385765269.db2.gz YPXPSMGPKROMCR-CQSZACIVSA-N 1 0 328.403 3.033 10 10 EGCERO CC[C@H](CNC(=O)[C@H](C)C(C)(F)F)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001318575266 1385766322 /nfs/dbraw/zinc/76/63/22/1385766322.db2.gz IHJBJQLGYUGFAM-DZGCQCFKSA-N 1 0 342.430 3.279 10 10 EGCERO CN1CCN(c2ccc(C[N@H+](C)C[C@H]3CC=CCC3)cc2F)CC1 ZINC001320208219 1386558166 /nfs/dbraw/zinc/55/81/66/1386558166.db2.gz GYTWPNYSSJWESY-KRWDZBQOSA-N 1 0 331.479 3.366 10 10 EGCERO COc1ccc(C[NH2+]CCCN(C)C(=O)[C@H]2C[C@@H]2C(C)C)cc1C ZINC001322767331 1387235872 /nfs/dbraw/zinc/23/58/72/1387235872.db2.gz KCQIRSMJIJMEFI-MSOLQXFVSA-N 1 0 332.488 3.234 10 10 EGCERO Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2[NH2+]CC1C[C@H]2CC[C@@H](C1)S2(=O)=O ZINC001329691063 1389202714 /nfs/dbraw/zinc/20/27/14/1389202714.db2.gz UQADVXLRWHMEIZ-IXIBIKRGSA-N 1 0 349.496 3.194 10 10 EGCERO COc1ccc(C[NH2+]C[C@H](C)CNC(=O)c2cc(C)[nH]c2C)cc1C ZINC001698767435 1406424830 /nfs/dbraw/zinc/42/48/30/1406424830.db2.gz VOVYTXOPCVPRDV-ZDUSSCGKSA-N 1 0 343.471 3.104 10 10 EGCERO CC[C@@H](F)C(=O)N[C@@H](C[NH2+]Cc1ccc(OC)c(C)c1)C(C)(C)C ZINC001332837025 1390196964 /nfs/dbraw/zinc/19/69/64/1390196964.db2.gz IKGXUPUJHDOHKV-WBVHZDCISA-N 1 0 338.467 3.372 10 10 EGCERO COc1ccc(C[NH2+][C@H]2C[C@@H](CNC(=O)C3(CF)CCC3)C2)cc1C ZINC001479321892 1392214094 /nfs/dbraw/zinc/21/40/94/1392214094.db2.gz PNNNDSUNKSCYQJ-CALCHBBNSA-N 1 0 348.462 3.128 10 10 EGCERO C/C=C(\C)C(=O)N[C@@H]1CCC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001480691813 1392856147 /nfs/dbraw/zinc/85/61/47/1392856147.db2.gz VIAVRVLXJGYSJM-DFGGWJSVSA-N 1 0 330.472 3.487 10 10 EGCERO CCCC[NH2+][C@H]1CCC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001480711466 1392873466 /nfs/dbraw/zinc/87/34/66/1392873466.db2.gz XPRGIESLTUNVGE-HOTGVXAUSA-N 1 0 345.447 3.280 10 10 EGCERO COc1ccc(C[NH2+][C@@H](C)CCNC(=O)[C@@H](C)C(F)(F)F)cc1C ZINC001480785657 1392931910 /nfs/dbraw/zinc/93/19/10/1392931910.db2.gz MLVVUPYMVRPVNE-QWHCGFSZSA-N 1 0 346.393 3.186 10 10 EGCERO CCc1occc1C(=O)NC[C@@H](CC)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001481808981 1394540640 /nfs/dbraw/zinc/54/06/40/1394540640.db2.gz QHNMJOOZWSWNNX-MRXNPFEDSA-N 1 0 344.455 3.457 10 10 EGCERO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)Cc2ccccc2C)cc1C ZINC001497980469 1396902143 /nfs/dbraw/zinc/90/21/43/1396902143.db2.gz SYIJRIKNIHGMLH-QGZVFWFLSA-N 1 0 340.467 3.149 10 10 EGCERO COc1ccc(C[NH2+][C@H](CNC(=O)C(F)F)c2ccccc2)cc1C ZINC001732017145 1428232264 /nfs/dbraw/zinc/23/22/64/1428232264.db2.gz CHMBGNTVXOGDHO-MRXNPFEDSA-N 1 0 348.393 3.216 10 10 EGCERO CC[C@@H](CNC(=O)c1ccccc1O)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001698592708 1406216138 /nfs/dbraw/zinc/21/61/38/1406216138.db2.gz VTPRYBKVLUZMFI-INIZCTEOSA-N 1 0 342.439 3.007 10 10 EGCERO CC[C@H](CNC(=O)c1ccc(C)nc1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001732193120 1428444824 /nfs/dbraw/zinc/44/48/24/1428444824.db2.gz WQRYVQGXTPFCLT-GOSISDBHSA-N 1 0 341.455 3.005 10 10 EGCERO CC[C@H](CNC(=O)[C@H]1[C@@H]2CCCC[C@@H]21)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001732195689 1428447172 /nfs/dbraw/zinc/44/71/72/1428447172.db2.gz SIFRZLIJCHDTTE-XSYGEPLQSA-N 1 0 344.499 3.424 10 10 EGCERO COc1ccc(C[NH2+]CCCN(C)C(=O)c2c(C)coc2C)cc1C ZINC001699502339 1412893264 /nfs/dbraw/zinc/89/32/64/1412893264.db2.gz RDRMLQCFBDYWAP-UHFFFAOYSA-N 1 0 344.455 3.465 10 10 EGCERO COc1ccc(C[NH2+]C[C@H](NC(=O)[C@H]2C[C@@H]2C)C2CCCC2)cc1C ZINC001699794982 1413202841 /nfs/dbraw/zinc/20/28/41/1413202841.db2.gz DTZUUDGTTOEPQG-JVPBZIDWSA-N 1 0 344.499 3.424 10 10 EGCERO COc1ccc(C[NH2+]CC[C@@H](C)NC(=O)c2cccc(C)n2)cc1C ZINC001732673908 1428902124 /nfs/dbraw/zinc/90/21/24/1428902124.db2.gz QFXGHYWFDQONFM-MRXNPFEDSA-N 1 0 341.455 3.005 10 10 EGCERO COc1ccc(C[NH2+]CC[C@@H](C)NC(=O)c2ccccc2F)cc1C ZINC001732676955 1428903940 /nfs/dbraw/zinc/90/39/40/1428903940.db2.gz OSVQVCPPOMBQQM-OAHLLOKOSA-N 1 0 344.430 3.441 10 10 EGCERO CCN(CC[NH2+]Cc1ccc(OC)c(C)c1)C(=O)[C@H]1CCC1(C)C ZINC001732791549 1428972792 /nfs/dbraw/zinc/97/27/92/1428972792.db2.gz PQKCOPMXTLBYGC-QGZVFWFLSA-N 1 0 332.488 3.378 10 10 EGCERO COc1ccc(C[NH2+]C[C@H](C)NC(=O)[C@@H]2CCCC23CC3)cc1C ZINC001733001909 1429123373 /nfs/dbraw/zinc/12/33/73/1429123373.db2.gz NIFZIYPQMLSWOL-RDJZCZTQSA-N 1 0 330.472 3.178 10 10 EGCERO COc1ccc(C[NH2+][C@H]2C[C@@H](CNC(=O)C[C@@H](C)C3CC3)C2)cc1C ZINC001707073479 1417184990 /nfs/dbraw/zinc/18/49/90/1417184990.db2.gz IEAYXKKNVKGPDN-BJZITVGISA-N 1 0 344.499 3.424 10 10 EGCERO COc1ccc(C[NH2+][C@@H](CNC(=O)[C@H](C)C2CCC2)C2CC2)cc1C ZINC001713112158 1417674863 /nfs/dbraw/zinc/67/48/63/1417674863.db2.gz GITDNKNCHVOOIN-BEFAXECRSA-N 1 0 344.499 3.424 10 10 EGCERO COc1ccc(C[NH2+][C@H](C)CCNC(=O)Cc2ccccc2)cc1C ZINC001713409917 1418033286 /nfs/dbraw/zinc/03/32/86/1418033286.db2.gz CJEMZTCQXNDMKI-QGZVFWFLSA-N 1 0 340.467 3.231 10 10 EGCERO CC/C=C/CC[N@@H+]1CC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001713838528 1418635515 /nfs/dbraw/zinc/63/55/15/1418635515.db2.gz OVQDXMCRXAEWOZ-WBMVNBJRSA-N 1 0 343.431 3.009 10 10 EGCERO CC[C@@H](CNC(=O)c1cc(Cl)c[nH]1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001714056013 1418853850 /nfs/dbraw/zinc/85/38/50/1418853850.db2.gz JVFKSQJYIZXIPI-HNNXBMFYSA-N 1 0 349.862 3.283 10 10 EGCERO COc1ccc(C[NH2+][C@H](C)CNC(=O)[C@]2(C)CC=CCC2)cc1C ZINC001714238341 1419028254 /nfs/dbraw/zinc/02/82/54/1419028254.db2.gz PZTCZYWQAKJVEZ-OXQOHEQNSA-N 1 0 330.472 3.344 10 10 EGCERO COc1ccc(C[NH2+][C@H](C)CNC(=O)[C@H]2CC3CCC2CC3)cc1C ZINC001714309316 1419090211 /nfs/dbraw/zinc/09/02/11/1419090211.db2.gz OHCNFPMMKQBPHU-JVDULTGUSA-N 1 0 344.499 3.424 10 10 EGCERO CC[C@H](CNC(=O)c1cnc(C)s1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001715047620 1419788912 /nfs/dbraw/zinc/78/89/12/1419788912.db2.gz LDELKZXANLEFLF-OAHLLOKOSA-N 1 0 347.484 3.067 10 10 EGCERO CCc1[nH]ccc1C(=O)N(C)[C@H](C)C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001715335587 1420039755 /nfs/dbraw/zinc/03/97/55/1420039755.db2.gz RELASPPYOBJVFV-OAHLLOKOSA-N 1 0 343.471 3.144 10 10 EGCERO COc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)[C@@]2(C)C=CCC2)cc1C ZINC001715350441 1420051418 /nfs/dbraw/zinc/05/14/18/1420051418.db2.gz CATNUIWFOYNZSU-JXFKEZNVSA-N 1 0 330.472 3.296 10 10 EGCERO COc1ccc(C[NH2+]C/C=C\CNC(=O)[C@@H]2CC[C@@H](C)C2)cc1C ZINC001715876251 1420379472 /nfs/dbraw/zinc/37/94/72/1420379472.db2.gz IGYVGYGCVVVJRO-PGFQARHSSA-N 1 0 330.472 3.202 10 10 EGCERO CN(CCC[N@H+](C)CCC1CC1)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001724862230 1425245165 /nfs/dbraw/zinc/24/51/65/1425245165.db2.gz MIBCPSFDVVDKFN-UHFFFAOYSA-N 1 0 345.447 3.043 10 10 EGCERO COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)c2ccoc2C)cc1C ZINC001725473919 1426146680 /nfs/dbraw/zinc/14/66/80/1426146680.db2.gz AITLNXJDTHSWGT-AWEZNQCLSA-N 1 0 330.428 3.155 10 10 EGCERO COc1ccc(C[NH2+]CCN(C)C(=O)[C@H]2CC[C@@H]3C[C@@H]3CC2)cc1C ZINC001731935612 1428175696 /nfs/dbraw/zinc/17/56/96/1428175696.db2.gz AHEVDKRILRVCDO-REPLKXPHSA-N 1 0 344.499 3.378 10 10 EGCERO COc1ccc(C[NH2+]CCN(C)C(=O)[C@@H]2CC23CCCC3)cc1C ZINC001731970397 1428188545 /nfs/dbraw/zinc/18/85/45/1428188545.db2.gz ANOMOHVZDGDIOJ-KRWDZBQOSA-N 1 0 330.472 3.132 10 10 EGCERO CC(C)CC[N@H+](C)CCCN(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001733781197 1430045234 /nfs/dbraw/zinc/04/52/34/1430045234.db2.gz DWUFUHSXGMKOND-UHFFFAOYSA-N 1 0 347.463 3.289 10 10 EGCERO C=C/C(C)=C/CC(=O)N(C)C[C@@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001734338130 1438059421 /nfs/dbraw/zinc/05/94/21/1438059421.db2.gz GQNNJKXJXGORDS-YBYKNVHQSA-N 1 0 330.472 3.463 10 10 EGCERO CC[C@H]([NH2+][C@H]1CN2CCC1CC2)c1cc(Br)ccc1O ZINC000019947273 212089613 /nfs/dbraw/zinc/08/96/13/212089613.db2.gz GKUWLOGOOYQCPK-GJZGRUSLSA-N 1 0 339.277 3.290 10 10 EGCERO CCCOc1ccc(C[N@@H+]2CC[C@H](C)[C@@H](n3ccnc3)C2)c(O)c1 ZINC000245754074 455374288 /nfs/dbraw/zinc/37/42/88/455374288.db2.gz HJLXZKVRWGRMDC-YJBOKZPZSA-N 1 0 329.444 3.461 10 10 EGCERO COc1ccc(N2CCC[N@H+](C[C@@](C)(O)c3ccccc3)CC2)cc1 ZINC000075827369 453928804 /nfs/dbraw/zinc/92/88/04/453928804.db2.gz ZYXVATZAGHNAOU-OAQYLSRUSA-N 1 0 340.467 3.115 10 10 EGCERO C[C@H](NC(=O)Nc1cccs1)c1ccc(N2CC[NH+](C)CC2)cc1 ZINC000069393056 454101413 /nfs/dbraw/zinc/10/14/13/454101413.db2.gz IKPHOURPLHDKST-AWEZNQCLSA-N 1 0 344.484 3.383 10 10 EGCERO CCN(C)c1ccc([C@H](C)[NH2+][C@@H]2CCCN(c3cccnn3)C2)cc1 ZINC000089733280 454186543 /nfs/dbraw/zinc/18/65/43/454186543.db2.gz SFVFMEXBOHQMDY-FUHWJXTLSA-N 1 0 339.487 3.252 10 10 EGCERO CC(=O)c1cc(Cl)cc(C[NH+]2CCC(c3ccnn3C)CC2)c1O ZINC000177091546 454821655 /nfs/dbraw/zinc/82/16/55/454821655.db2.gz IAPAQIVTAWSTNY-UHFFFAOYSA-N 1 0 347.846 3.361 10 10 EGCERO CC(C)c1nnc2n1C[C@@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)CC2 ZINC000180513916 455186998 /nfs/dbraw/zinc/18/69/98/455186998.db2.gz IXCMRYTUUBDXTE-HOCLYGCPSA-N 1 0 327.476 3.133 10 10 EGCERO COc1cc(O)c(C[N@H+]2C[C@@H](c3ccccc3)O[C@@H](C)C2)cc1OC ZINC000245512550 455318034 /nfs/dbraw/zinc/31/80/34/455318034.db2.gz AHFFZMCXDPDGFE-XOBRGWDASA-N 1 0 343.423 3.371 10 10 EGCERO COc1ccc(O)c([C@@H](C)[NH2+][C@H](C)c2ccc(-n3cncn3)cc2)c1 ZINC000184884884 455466874 /nfs/dbraw/zinc/46/68/74/455466874.db2.gz YETLOGCYWVAXQZ-ZIAGYGMSSA-N 1 0 338.411 3.393 10 10 EGCERO CCN(CC)c1ccc(C[NH2+][C@H](C)c2cc(OC)ccc2O)cn1 ZINC000185085258 455499163 /nfs/dbraw/zinc/49/91/63/455499163.db2.gz JKIPUBDCXAQALZ-CQSZACIVSA-N 1 0 329.444 3.493 10 10 EGCERO CC(=O)c1cc(F)cc(C[NH2+][C@@H](C)[C@@H]2COc3ccccc32)c1O ZINC000185605334 455584387 /nfs/dbraw/zinc/58/43/87/455584387.db2.gz IENCFCDWNRBTHR-GTNSWQLSSA-N 1 0 329.371 3.388 10 10 EGCERO COc1ccccc1N1CC[C@H]([NH2+][C@@H](C)c2cc(F)ccc2O)C1 ZINC000185712435 455603468 /nfs/dbraw/zinc/60/34/68/455603468.db2.gz KFUJRQDSEUQDSV-ZFWWWQNUSA-N 1 0 330.403 3.469 10 10 EGCERO CCO[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)cc(C)c2O)C12CCOCC2 ZINC000186455076 455772069 /nfs/dbraw/zinc/77/20/69/455772069.db2.gz IOOKXRYLKNWDIA-JKSUJKDBSA-N 1 0 339.863 3.418 10 10 EGCERO CCOc1cccc(C[NH2+][C@@H]2CCOC3(CCSCC3)C2)c1O ZINC000269306382 455832640 /nfs/dbraw/zinc/83/26/40/455832640.db2.gz DUGOTOOFVCDEBK-OAHLLOKOSA-N 1 0 337.485 3.325 10 10 EGCERO COc1c(O)c(C[N@@H+]2CC[C@@H](C(F)(F)F)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000294980161 455834146 /nfs/dbraw/zinc/83/41/46/455834146.db2.gz JSLPJXZKWNXJME-MWLCHTKSSA-N 1 0 348.321 3.472 10 10 EGCERO Cc1ccncc1C[NH2+]Cc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000279947103 455878424 /nfs/dbraw/zinc/87/84/24/455878424.db2.gz OEESBVMYHWVIGH-HOTGVXAUSA-N 1 0 343.446 3.433 10 10 EGCERO CC[C@@H]([NH2+][C@@H](Cc1ccccc1)C(=O)N(C)C)c1ccc(C)cc1O ZINC000279966089 455879556 /nfs/dbraw/zinc/87/95/56/455879556.db2.gz CPNJTBCKZISDKL-MOPGFXCFSA-N 1 0 340.467 3.441 10 10 EGCERO CC[C@H]([NH2+][C@@H](C)c1cc(Br)ccc1O)[C@H](O)C(F)F ZINC000296307014 455905554 /nfs/dbraw/zinc/90/55/54/455905554.db2.gz GEKCYGNMJPVNTL-JWYUURKGSA-N 1 0 338.192 3.210 10 10 EGCERO CNC(=O)C1CCC([NH2+]Cc2cc(-c3ccccc3)ccc2O)CC1 ZINC000263648911 456181469 /nfs/dbraw/zinc/18/14/69/456181469.db2.gz CMXLZUBOTSBUSM-UHFFFAOYSA-N 1 0 338.451 3.454 10 10 EGCERO Cc1ccc([C@@H](C)[NH2+][C@H]2CCN(Cc3ccc(F)cc3)C2=O)c(O)c1 ZINC000189035532 456207084 /nfs/dbraw/zinc/20/70/84/456207084.db2.gz SNPRZNJUFILJCX-KDOFPFPSSA-N 1 0 342.414 3.291 10 10 EGCERO Cc1ccc([C@H](C)[NH2+][C@@H]2CCCN(c3ncccn3)C2)c(O)c1C ZINC000273433899 456230781 /nfs/dbraw/zinc/23/07/81/456230781.db2.gz WKCAJHTYVNHWJN-JKSUJKDBSA-N 1 0 326.444 3.119 10 10 EGCERO Cc1ccc([C@H](C)[NH2+]Cc2cccc(N3CCOCC3)n2)c(O)c1C ZINC000274777248 456264439 /nfs/dbraw/zinc/26/44/39/456264439.db2.gz OHAHMPXNDMKGAY-INIZCTEOSA-N 1 0 341.455 3.091 10 10 EGCERO Cc1cc(Cl)cc(C[NH2+][C@]2(CO)CCOc3ccccc32)c1O ZINC000282414676 456505241 /nfs/dbraw/zinc/50/52/41/456505241.db2.gz SHDBEFSXSLGUFG-SFHVURJKSA-N 1 0 333.815 3.114 10 10 EGCERO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CC[C@@H](C)C2)C1 ZINC000444134523 457858270 /nfs/dbraw/zinc/85/82/70/457858270.db2.gz AHIUYMSEUJUAMX-MRXNPFEDSA-N 1 0 339.483 3.276 10 10 EGCERO C[C@@H]1C[N@H+](Cc2ccc(N(C)C)c(F)c2)C[C@@]2(CCO[C@H](C)C2)O1 ZINC000366790427 457899545 /nfs/dbraw/zinc/89/95/45/457899545.db2.gz ARQYQECWQHVOEE-CLCXKQKWSA-N 1 0 336.451 3.050 10 10 EGCERO COc1cc(O)c(C[NH2+][C@H](c2ccccc2)[C@H]2CCOC2)cc1OC ZINC000362040593 458020096 /nfs/dbraw/zinc/02/00/96/458020096.db2.gz PZVPZDYRUPZGSQ-MGPUTAFESA-N 1 0 343.423 3.277 10 10 EGCERO CCCN(C)C(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000435756221 458197621 /nfs/dbraw/zinc/19/76/21/458197621.db2.gz PAOWJPRIBNODEZ-UHFFFAOYSA-N 1 0 327.472 3.276 10 10 EGCERO COc1ccc(CN2CC[C@H]2C[NH2+]Cc2cc(C)c(C)cc2O)cc1 ZINC000527775986 459732984 /nfs/dbraw/zinc/73/29/84/459732984.db2.gz WWEOVJDWPICTAK-IBGZPJMESA-N 1 0 340.467 3.382 10 10 EGCERO Cc1cc(Cl)cc(C[NH2+]C[C@@H](n2cccn2)C(F)(F)F)c1O ZINC000529637055 459831648 /nfs/dbraw/zinc/83/16/48/459831648.db2.gz MYMPITFQJGAKGQ-GFCCVEGCSA-N 1 0 333.741 3.444 10 10 EGCERO CN(c1ccc(CNC(=O)[C@H]2CC[N@H+](C)C2)cc1)C1CCCCC1 ZINC000729527012 574868039 /nfs/dbraw/zinc/86/80/39/574868039.db2.gz GGNXGDIUHJDTKE-KRWDZBQOSA-N 1 0 329.488 3.023 10 10 EGCERO CCCN(CCC)c1ccc(C[NH2+]CCN2CCSCC2)cc1 ZINC000732822333 575289905 /nfs/dbraw/zinc/28/99/05/575289905.db2.gz LOQRVJKCUGNLOI-UHFFFAOYSA-N 1 0 335.561 3.451 10 10 EGCERO Cc1ncc(C[NH2+][C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cn1 ZINC000742384397 576777237 /nfs/dbraw/zinc/77/72/37/576777237.db2.gz AWFYNRRHOJMPLB-HNNXBMFYSA-N 1 0 348.397 3.145 10 10 EGCERO CC(=O)c1cccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccccc2O)c1 ZINC000879651468 1300650803 /nfs/dbraw/zinc/65/08/03/1300650803.db2.gz XBNIOMUVHAFYAK-QWHCGFSZSA-N 1 0 326.396 3.273 10 10 EGCERO COC(=O)c1c(C[NH2+]C[C@@H]2CCCS2)c2cc(F)ccc2n1C ZINC000894330825 1306346111 /nfs/dbraw/zinc/34/61/11/1306346111.db2.gz WHMXEFDHZUTPKF-LBPRGKRZSA-N 1 0 336.432 3.089 10 10 EGCERO COC(=O)c1c(C[N@@H+]2CCCSCC2)c2cc(F)ccc2n1C ZINC000894422745 1308871295 /nfs/dbraw/zinc/87/12/95/1308871295.db2.gz LUFIBBXJZDPSKE-UHFFFAOYSA-N 1 0 336.432 3.043 10 10 EGCERO COC(=O)c1c(C[NH2+][C@@H]2CCS[C@H]2C)c2cc(F)ccc2n1C ZINC000895087672 1309186712 /nfs/dbraw/zinc/18/67/12/1309186712.db2.gz FOBWLFUOKQCWIT-IINYFYTJSA-N 1 0 336.432 3.088 10 10 EGCERO O[C@@H]1C[N@H+](Cc2ccc(N3CCCCC3)cc2)CC2(CCOCC2)C1 ZINC000895722432 1309490163 /nfs/dbraw/zinc/49/01/63/1309490163.db2.gz VOASKXSFMNZVNZ-FQEVSTJZSA-N 1 0 344.499 3.040 10 10 EGCERO CC1([NH+]2CCC2)CCN(C(=O)c2cc3cc(O)c(O)cc3s2)CC1 ZINC000899222958 1310986054 /nfs/dbraw/zinc/98/60/54/1310986054.db2.gz BCQJUJXFSNVULI-UHFFFAOYSA-N 1 0 346.452 3.013 10 10 EGCERO COc1ccc(O)c(C[N@@H+]2CC[C@H](Oc3ccc(C4CC4)cn3)C2)c1 ZINC000858016932 1328660869 /nfs/dbraw/zinc/66/08/69/1328660869.db2.gz RZGDTKBETYRGSE-SFHVURJKSA-N 1 0 340.423 3.327 10 10 EGCERO C[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1)[C@@H]1C[C@H]1C1CC1 ZINC000858106740 1328683960 /nfs/dbraw/zinc/68/39/60/1328683960.db2.gz QAVVVDAFYRLCNW-BVGQSLNGSA-N 1 0 332.463 3.311 10 10 EGCERO O=C1[C@@H]([NH2+]Cc2cc(-c3ccccc3)ccc2O)CCN1C1CCC1 ZINC000858343175 1328741122 /nfs/dbraw/zinc/74/11/22/1328741122.db2.gz UMVZPLSBNOFEOL-IBGZPJMESA-N 1 0 336.435 3.302 10 10 EGCERO C[C@@H](NC(=O)NC[C@H]1CC[N@@H+]1C1CCCC1)c1ccc(N(C)C)cc1 ZINC000858369734 1328747189 /nfs/dbraw/zinc/74/71/89/1328747189.db2.gz WVKNKKQFFLGOSS-DNVCBOLYSA-N 1 0 344.503 3.130 10 10 EGCERO CCN(C)c1ccc([C@@H](C)[NH2+]Cc2ccc3oc(=O)n(C)c3c2)cc1 ZINC000858538387 1328791385 /nfs/dbraw/zinc/79/13/85/1328791385.db2.gz LYIOVKJDSOMJKM-CQSZACIVSA-N 1 0 339.439 3.438 10 10 EGCERO Cc1noc([C@H]2OCC[C@H]2[NH2+][C@@H](C)c2cc(Cl)cc(C)c2O)n1 ZINC000858590090 1328803246 /nfs/dbraw/zinc/80/32/46/1328803246.db2.gz JGVQKXDBCKPCFZ-RJIBLYRGSA-N 1 0 337.807 3.226 10 10 EGCERO Cc1cc(C(=O)NCC[N@H+]2CCCC[C@@H]2C)c(C)n1-c1ccccn1 ZINC000919747441 1322102905 /nfs/dbraw/zinc/10/29/05/1322102905.db2.gz QHKVGRFEXIULPT-HNNXBMFYSA-N 1 0 340.471 3.093 10 10 EGCERO Cc1cc(O)c(C[NH2+]C[C@@H]2CCC3(CCOCC3)O2)c(Cl)c1 ZINC000922811095 1322624833 /nfs/dbraw/zinc/62/48/33/1322624833.db2.gz NRWDTWNHCMRXND-ZDUSSCGKSA-N 1 0 325.836 3.172 10 10 EGCERO COc1ccc(N2CCC([NH2+][C@H](C3CC3)[C@@H]3CCCOC3)CC2)cc1 ZINC000922898418 1322644476 /nfs/dbraw/zinc/64/44/76/1322644476.db2.gz VORUUFIJYFHQCR-DYESRHJHSA-N 1 0 344.499 3.459 10 10 EGCERO Cc1cc(C[N@@H+]2CC[C@H]3CC[C@@H](C2)[S@]3=O)ccc1N1CCCCC1 ZINC000859886806 1329106615 /nfs/dbraw/zinc/10/66/15/1329106615.db2.gz RZAYYUPXHQSDKK-IMWIBFENSA-N 1 0 346.540 3.471 10 10 EGCERO CC[C@@H]([NH2+]CCN1CCC([NH3+])CC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000925818246 1325314787 /nfs/dbraw/zinc/31/47/87/1325314787.db2.gz ZUHQFNMAAWWOOR-OAHLLOKOSA-N 1 0 346.302 3.163 10 10 EGCERO Cc1cc(CC[NH2+][C@H](C)c2cc(Br)ccc2O)nn1C ZINC000926909560 1327770795 /nfs/dbraw/zinc/77/07/95/1327770795.db2.gz GWIMMSRNLGILGV-LLVKDONJSA-N 1 0 338.249 3.090 10 10 EGCERO CCC[C@@H](O)CC[NH2+][C@@H](C)c1cc(Br)cc(OC)c1O ZINC000927025894 1327824454 /nfs/dbraw/zinc/82/44/54/1327824454.db2.gz YXEFSJSYCXXHRR-CMPLNLGQSA-N 1 0 346.265 3.365 10 10 EGCERO C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)S2(=O)=O)c1ccc2ccccc2c1O ZINC000927038750 1327827110 /nfs/dbraw/zinc/82/71/10/1327827110.db2.gz FXROUQGBXWHNSA-WWTUQBGBSA-N 1 0 345.464 3.304 10 10 EGCERO Cc1c(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)ccnc1F ZINC000862275145 1329473446 /nfs/dbraw/zinc/47/34/46/1329473446.db2.gz LYGUPJNKOQEXAD-HNNXBMFYSA-N 1 0 329.419 3.217 10 10 EGCERO COc1cc(C[N@@H+]2C[C@@H]3CCC[C@]3(CO)C2)c(O)c(C(C)(C)C)c1 ZINC000862529164 1329492745 /nfs/dbraw/zinc/49/27/45/1329492745.db2.gz PBYMDFVBSMECDQ-MGPUTAFESA-N 1 0 333.472 3.293 10 10 EGCERO Oc1ccc([C@@H]2CC[N@H+](Cc3ccc(N4CCOCC4)cc3)C2)cc1 ZINC000862540700 1329494301 /nfs/dbraw/zinc/49/43/01/1329494301.db2.gz KEUSPXLLJQMKTA-LJQANCHMSA-N 1 0 338.451 3.218 10 10 EGCERO COC[C@]1(C)CN(Cc2ccc(N(C)C)cc2C(F)(F)F)CCO1 ZINC000862552461 1329496109 /nfs/dbraw/zinc/49/61/09/1329496109.db2.gz ZJOFJQAVJJPHQG-INIZCTEOSA-N 1 0 346.393 3.009 10 10 EGCERO Cc1cc(C[NH2+]C[C@@H](O)c2ccc(F)cn2)c(C)n1-c1ccccc1 ZINC000863583152 1329564665 /nfs/dbraw/zinc/56/46/65/1329564665.db2.gz OISVAIZYVFQMTM-HXUWFJFHSA-N 1 0 339.414 3.451 10 10 EGCERO Cc1cc(O)c(CN2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)c(Cl)c1 ZINC000863645729 1329570098 /nfs/dbraw/zinc/57/00/98/1329570098.db2.gz LZHOTLFEPNNHNN-PWSUYJOCSA-N 1 0 336.785 3.313 10 10 EGCERO COc1ccc(N2CC[C@H](C[NH2+][C@H](C3CCC3)[C@H]3CCCO3)C2)cc1 ZINC000866377075 1330104051 /nfs/dbraw/zinc/10/40/51/1330104051.db2.gz FQJLZPATAXUTMR-MAODMQOUSA-N 1 0 344.499 3.459 10 10 EGCERO C[C@@H]([NH2+]CCOCC(=O)OC(C)(C)C)c1cc(Cl)ccc1O ZINC000866437247 1330112191 /nfs/dbraw/zinc/11/21/91/1330112191.db2.gz CSCPMKSGAMPWJM-LLVKDONJSA-N 1 0 329.824 3.055 10 10 EGCERO CC[C@H](C[C@H](C)O)[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000866635611 1330136319 /nfs/dbraw/zinc/13/63/19/1330136319.db2.gz RTCFCMFQKNOWLK-RRFJBIMHSA-N 1 0 340.895 3.377 10 10 EGCERO C[C@H](NC(=O)NCCCC[N@@H+]1CCCC[C@H]1C)c1ccccc1O ZINC000868103252 1330249216 /nfs/dbraw/zinc/24/92/16/1330249216.db2.gz QJCQLLCMNXUZEF-CVEARBPZSA-N 1 0 333.476 3.407 10 10 EGCERO CCC1([NH+](C)C)CCN(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000868515307 1330288936 /nfs/dbraw/zinc/28/89/36/1330288936.db2.gz KJZXBRJCXRPPIL-MRXNPFEDSA-N 1 0 346.519 3.329 10 10 EGCERO C[C@@H](NC(=O)NC[C@H]1CC[N@@H+]1C1CCCCC1)c1ccccc1O ZINC000868803632 1330347950 /nfs/dbraw/zinc/34/79/50/1330347950.db2.gz QICDEVMHEOEAKC-GDBMZVCRSA-N 1 0 331.460 3.159 10 10 EGCERO C[NH+](C)C1(C)CCC(NC(=O)NCc2cc(Cl)ccc2O)CC1 ZINC000869011210 1330395480 /nfs/dbraw/zinc/39/54/80/1330395480.db2.gz OSZFBSOPCYWRQW-UHFFFAOYSA-N 1 0 339.867 3.108 10 10 EGCERO CC[C@@H](C)[C@H](C)[N@H+](CC(=O)NCc1ccc(N(C)C)cc1)C1CC1 ZINC001190913673 1367381459 /nfs/dbraw/zinc/38/14/59/1367381459.db2.gz NCBCLETYXHJQID-CVEARBPZSA-N 1 0 331.504 3.268 10 10 EGCERO CC(C)Cn1cc[nH+]c1NCc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001117109959 1371012335 /nfs/dbraw/zinc/01/23/35/1371012335.db2.gz PAKPPXHNRSRDNX-UHFFFAOYSA-N 1 0 345.466 3.042 10 10 EGCERO CN(C)c1ccc([C@H](CNC(=O)/C=C\c2ccsc2)[NH+](C)C)cc1 ZINC001134883000 1376765564 /nfs/dbraw/zinc/76/55/64/1376765564.db2.gz WPGRYEGMPKBRSG-CXKPLTABSA-N 1 0 343.496 3.246 10 10 EGCERO Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2CC[C@@H]3C[N@@H+](C)C[C@@H]23)cc1 ZINC001135240927 1376996704 /nfs/dbraw/zinc/99/67/04/1376996704.db2.gz OMMQUBBFPIZUNI-MISYRCLQSA-N 1 0 337.467 3.164 10 10 EGCERO CCC(CC)C[NH2+]C1(CNC(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC001269544732 1377557917 /nfs/dbraw/zinc/55/79/17/1377557917.db2.gz QLYREBGGRGMRRQ-UHFFFAOYSA-N 1 0 345.447 3.137 10 10 EGCERO COc1ccc(C[NH2+]C2(CNC(=O)c3ccoc3)CCC2)cc1C ZINC001273040891 1378085625 /nfs/dbraw/zinc/08/56/25/1378085625.db2.gz VSUHSTOYVNPHHR-UHFFFAOYSA-N 1 0 328.412 3.039 10 10 EGCERO COc1ccc(C[NH2+]C/C=C\CNC(=O)[C@@H]2C[C@@H]2C(C)C)cc1C ZINC001274470280 1378126187 /nfs/dbraw/zinc/12/61/87/1378126187.db2.gz ACTILYYLCNGIOG-OSFIAYCASA-N 1 0 330.472 3.058 10 10 EGCERO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CC[C@H]2C[C@H](C)C[N@@H+]2C1 ZINC001142417312 1378440954 /nfs/dbraw/zinc/44/09/54/1378440954.db2.gz QEZICWYLMLQMPF-HQRMLTQVSA-N 1 0 343.515 3.222 10 10 EGCERO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2ccc(C)c(O)c2O)C1 ZINC001293349672 1382276014 /nfs/dbraw/zinc/27/60/14/1382276014.db2.gz IJXQOTDSIIWGIS-AWEZNQCLSA-N 1 0 334.460 3.037 10 10 EGCERO C[NH+](C)C1(CNc2ccc([N+](=O)[O-])cc2C(=O)c2ccccc2)CC1 ZINC001307145502 1383944986 /nfs/dbraw/zinc/94/49/86/1383944986.db2.gz MVQMVPYLGNSUDJ-UHFFFAOYSA-N 1 0 339.395 3.332 10 10 EGCERO COc1ccc(N2CCC[N@H+](CCSC(F)(F)F)CC2)cc1 ZINC001307424195 1383988603 /nfs/dbraw/zinc/98/86/03/1383988603.db2.gz PGKNJLDMSSGWNG-UHFFFAOYSA-N 1 0 334.407 3.460 10 10 EGCERO CN(C)c1ccc(CNC(=O)C[N@@H+]2CC[C@@H](C3CCCCC3)C2)cc1 ZINC001307908682 1384055966 /nfs/dbraw/zinc/05/59/66/1384055966.db2.gz CINOVAOTYIAGST-LJQANCHMSA-N 1 0 343.515 3.271 10 10 EGCERO CN(C)c1ccc([C@@H](CNC(=O)NC2(C)CCCCC2)[NH+](C)C)cc1 ZINC001313411835 1384416849 /nfs/dbraw/zinc/41/68/49/1384416849.db2.gz JLYIFNUNYUXKLN-GOSISDBHSA-N 1 0 346.519 3.377 10 10 EGCERO Cc1cc(C(=O)NC23CC[NH+](CC2)C3)c(C)n1-c1cccc(Cl)c1 ZINC001171227589 1384474359 /nfs/dbraw/zinc/47/43/59/1384474359.db2.gz PTTISKLKVKAMAP-UHFFFAOYSA-N 1 0 343.858 3.326 10 10 EGCERO CC/C=C(\C)C(=O)NCC1CC([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001316813136 1384612146 /nfs/dbraw/zinc/61/21/46/1384612146.db2.gz HFOCNIQELYEOIY-MKMNVTDBSA-N 1 0 330.472 3.344 10 10 EGCERO C[C@H]([NH2+][C@H](C(N)=O)c1ccc(Br)cc1)c1ccccc1O ZINC001175418619 1385281110 /nfs/dbraw/zinc/28/11/10/1385281110.db2.gz MPFVSODFNXKRCC-BONVTDFDSA-N 1 0 349.228 3.032 10 10 EGCERO COc1ccc(N2CC[NH+](CC[C@@H]3C[C@H]3C3CC3)CC2)c(OC)c1 ZINC001175522484 1385320261 /nfs/dbraw/zinc/32/02/61/1385320261.db2.gz HRZAGLNXLZPTBE-AEFFLSMTSA-N 1 0 330.472 3.262 10 10 EGCERO COc1ccc(C[NH2+]C[C@@H](C)CNC(=O)c2occc2C)cc1C ZINC001319157990 1385985436 /nfs/dbraw/zinc/98/54/36/1385985436.db2.gz SGTGSUMDFGYVLV-CYBMUJFWSA-N 1 0 330.428 3.061 10 10 EGCERO CC/C(C)=C/C(=O)N(C)C1CC([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001333060873 1390243634 /nfs/dbraw/zinc/24/36/34/1390243634.db2.gz GXIIYERNSOFTCB-NTEUORMPSA-N 1 0 330.472 3.439 10 10 EGCERO CCCC[NH2+][C@@H]1CCC[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001480711469 1392873331 /nfs/dbraw/zinc/87/33/31/1392873331.db2.gz XPRGIESLTUNVGE-HZPDHXFCSA-N 1 0 345.447 3.280 10 10 EGCERO COc1ccc(C[NH2+][C@@H](C)CCNC(=O)c2cncc(C)c2)cc1C ZINC001503145329 1396246020 /nfs/dbraw/zinc/24/60/20/1396246020.db2.gz WMCHCTIQZRVPFX-INIZCTEOSA-N 1 0 341.455 3.005 10 10 EGCERO COc1ccc(C[NH2+][C@H](CNC(=O)C2CC(C)(C)C2)C2CC2)cc1C ZINC001690149106 1404347986 /nfs/dbraw/zinc/34/79/86/1404347986.db2.gz DUIDTZLYGGNTAW-GOSISDBHSA-N 1 0 344.499 3.424 10 10 EGCERO CC[C@H](CNC(=O)c1ccccc1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001698591959 1406214682 /nfs/dbraw/zinc/21/46/82/1406214682.db2.gz VLGNGFBYVWFAFS-GOSISDBHSA-N 1 0 326.440 3.302 10 10 EGCERO CC[C@H](CNC(=O)c1ccccc1O)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001698592709 1406216350 /nfs/dbraw/zinc/21/63/50/1406216350.db2.gz VTPRYBKVLUZMFI-MRXNPFEDSA-N 1 0 342.439 3.007 10 10 EGCERO CC[C@@H](CNC(=O)C(C)(C)C(F)F)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001732210364 1428458986 /nfs/dbraw/zinc/45/89/86/1428458986.db2.gz GIADMCVOSFRYLZ-AWEZNQCLSA-N 1 0 342.430 3.279 10 10 EGCERO COc1ccc(C[NH2+]C[C@@H](C)CNC(=O)C(C)=C2CCC2)cc1C ZINC001732339673 1428540936 /nfs/dbraw/zinc/54/09/36/1428540936.db2.gz BCSKZBUZHKRZKB-CQSZACIVSA-N 1 0 330.472 3.346 10 10 EGCERO COc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]2CC=CCC2)cc1C ZINC001732409741 1428570320 /nfs/dbraw/zinc/57/03/20/1428570320.db2.gz WVVCXPVUNKVMFR-SJLPKXTDSA-N 1 0 330.472 3.296 10 10 EGCERO COc1ccc(C[NH2+]C[C@@H](NC(=O)c2coc(C)c2)C2CC2)cc1C ZINC001699576832 1412932875 /nfs/dbraw/zinc/93/28/75/1412932875.db2.gz XWEIQGQDYZHGIM-GOSISDBHSA-N 1 0 342.439 3.203 10 10 EGCERO COc1ccc(C[NH2+]C2(CNC(=O)c3ccccc3C)CC2)cc1C ZINC001699642506 1413023303 /nfs/dbraw/zinc/02/33/03/1413023303.db2.gz STFRYRYREHLNBL-UHFFFAOYSA-N 1 0 338.451 3.364 10 10 EGCERO COc1ccc(C[NH2+]C[C@]2(C)CCN(C(=O)C=C(C)C)C2)cc1C ZINC001699828744 1413257200 /nfs/dbraw/zinc/25/72/00/1413257200.db2.gz JXMIJDLFVBCHMB-FQEVSTJZSA-N 1 0 330.472 3.298 10 10 EGCERO COc1ccc(C[NH2+][C@H](CNC(=O)c2cc(C)co2)C2CC2)cc1C ZINC001713117580 1417682879 /nfs/dbraw/zinc/68/28/79/1417682879.db2.gz YGHOBHKKGSMTDK-QGZVFWFLSA-N 1 0 342.439 3.203 10 10 EGCERO COc1ccc(C[NH2+][C@H](C)CNC(=O)c2ccccc2F)cc1C ZINC001713297133 1417924634 /nfs/dbraw/zinc/92/46/34/1417924634.db2.gz QPIMAMWWNMAYMI-CQSZACIVSA-N 1 0 330.403 3.051 10 10 EGCERO COc1ccc(C[NH2+][C@H](C)CNC(=O)[C@@H]2CC[C@@H]3C[C@@H]3CC2)cc1C ZINC001713326607 1417951728 /nfs/dbraw/zinc/95/17/28/1417951728.db2.gz CBRYREUGTGRYOL-OWYHZJEWSA-N 1 0 344.499 3.424 10 10 EGCERO CCC[N@H+](C)CC1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC001713767288 1418582348 /nfs/dbraw/zinc/58/23/48/1418582348.db2.gz KSCIIESEJLLWKY-UHFFFAOYSA-N 1 0 345.447 3.043 10 10 EGCERO COc1ccc(C[NH2+]C[C@H](NC(=O)[C@@H]2C[C@H]2C2CC2)C2CC2)cc1C ZINC001733183163 1429284852 /nfs/dbraw/zinc/28/48/52/1429284852.db2.gz DMUFOXJKZLKMES-OTWHNJEPSA-N 1 0 342.483 3.034 10 10 EGCERO CC[C@@H](CNC(=O)[C@@H](C)n1cccc1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001714066611 1418862539 /nfs/dbraw/zinc/86/25/39/1418862539.db2.gz DWCYIHHUPJJFJL-AEFFLSMTSA-N 1 0 343.471 3.051 10 10 EGCERO CC[C@@H](C)CC(=O)N1CC[C@H](C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001714344186 1419116318 /nfs/dbraw/zinc/11/63/18/1419116318.db2.gz CNAODQQISZSUDQ-CRAIPNDOSA-N 1 0 332.488 3.378 10 10 EGCERO COc1ccc(C[NH2+]C[C@H](C)CNC(=O)[C@@H]2C[C@H]2C2CCC2)cc1C ZINC001714437872 1419169359 /nfs/dbraw/zinc/16/93/59/1419169359.db2.gz VIMHJHQKPPRVEI-ZOCIIQOWSA-N 1 0 344.499 3.282 10 10 EGCERO COc1ccc(C[NH2+]CC2(NC(=O)c3ccco3)CCCC2)cc1C ZINC001715084840 1419823050 /nfs/dbraw/zinc/82/30/50/1419823050.db2.gz QHMMJUMJKDFHTH-UHFFFAOYSA-N 1 0 342.439 3.429 10 10 EGCERO COc1ccc(C[NH2+]C2(CNC(=O)/C=C(/C)C3CC3)CC2)cc1C ZINC001733236766 1429375752 /nfs/dbraw/zinc/37/57/52/1429375752.db2.gz FSSOVFHFLDQXPE-KAMYIIQDSA-N 1 0 328.456 3.098 10 10 EGCERO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)[C@H]2CC3CCC2CC3)cc1C ZINC001715962596 1420428775 /nfs/dbraw/zinc/42/87/75/1420428775.db2.gz NMAJUHBMPXKABF-JVDULTGUSA-N 1 0 344.499 3.424 10 10 EGCERO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)[C@H](C)c2ccc(C)o2)cc1C ZINC001716415259 1420644500 /nfs/dbraw/zinc/64/45/00/1420644500.db2.gz MKFUYOWATTUMPU-GDBMZVCRSA-N 1 0 344.455 3.303 10 10 EGCERO COc1ccc(C[NH2+]C[C@H](NC(=O)/C=C(/C)C2CC2)C2CC2)cc1C ZINC001716605159 1420773217 /nfs/dbraw/zinc/77/32/17/1420773217.db2.gz RFELNODNDZJSQR-RNUYOQPASA-N 1 0 342.483 3.344 10 10 EGCERO CCCCC[NH2+][C@H](C)[C@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001725129263 1425597219 /nfs/dbraw/zinc/59/72/19/1425597219.db2.gz NZWWUMZQYBIGHL-OLZOCXBDSA-N 1 0 333.436 3.136 10 10 EGCERO COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)c2ccsc2)cc1C ZINC001725481498 1426157453 /nfs/dbraw/zinc/15/74/53/1426157453.db2.gz QWOCTZPIEZUZCK-CQSZACIVSA-N 1 0 332.469 3.315 10 10 EGCERO COc1ccc(C[NH2+]CC(C)(C)CN(C)C(=O)C2(C)CC2)cc1C ZINC001734017949 1437807741 /nfs/dbraw/zinc/80/77/41/1437807741.db2.gz FPUKOPWIBDXNBC-UHFFFAOYSA-N 1 0 332.488 3.378 10 10 EGCERO Cc1nc(CN[C@H](C)c2ccc(N3CC[NH+](C)CC3)cc2)cs1 ZINC000071825378 203120589 /nfs/dbraw/zinc/12/05/89/203120589.db2.gz MPRAQSUUAASIKQ-CQSZACIVSA-N 1 0 330.501 3.054 10 10 EGCERO Cc1ccc(C[NH2+][C@@H](C)c2ccc(N3CCN(C)CC3)c(F)c2)o1 ZINC000071825363 203121305 /nfs/dbraw/zinc/12/13/05/203121305.db2.gz UJHZCIPBAINJKB-HNNXBMFYSA-N 1 0 331.435 3.330 10 10 EGCERO CC[C@@H]([NH2+][C@H]1CN2CCC1CC2)c1cc(Br)ccc1O ZINC000019947270 212089601 /nfs/dbraw/zinc/08/96/01/212089601.db2.gz GKUWLOGOOYQCPK-CABCVRRESA-N 1 0 339.277 3.290 10 10 EGCERO CC[C@@H]([NH2+][C@@H]1CCCN(c2cccnn2)C1)c1ccc(N(C)C)cc1 ZINC000089732788 454186389 /nfs/dbraw/zinc/18/63/89/454186389.db2.gz XDQYHYRKIOBVQB-IEBWSBKVSA-N 1 0 339.487 3.252 10 10 EGCERO Cn1cc([C@@H]2CCC[N@@H+]2Cc2cc(Br)ccc2O)cn1 ZINC000131803932 454288224 /nfs/dbraw/zinc/28/82/24/454288224.db2.gz KVCQLZOGJBKUCJ-AWEZNQCLSA-N 1 0 336.233 3.225 10 10 EGCERO COc1cccc(C[NH2+]C2(c3ccc(F)cc3F)CCOCC2)c1O ZINC000124781092 454769142 /nfs/dbraw/zinc/76/91/42/454769142.db2.gz AQCCTLKIPVYXFB-UHFFFAOYSA-N 1 0 349.377 3.475 10 10 EGCERO CO[C@@H]1CC[C@@H]2OCC[N@H+](Cc3c(O)ccc4ccccc43)[C@@H]2C1 ZINC000165266006 454897072 /nfs/dbraw/zinc/89/70/72/454897072.db2.gz IXAXDSVPEJAQSJ-ZTNFWEORSA-N 1 0 327.424 3.314 10 10 EGCERO Cc1cc(Cl)cc(C[NH+]2CCC([C@@H](O)c3nccn3C)CC2)c1O ZINC000180280735 455154535 /nfs/dbraw/zinc/15/45/35/455154535.db2.gz LBQQUQYJUODALP-QGZVFWFLSA-N 1 0 349.862 3.033 10 10 EGCERO COc1ccc(N2CC[NH+](CCCCCn3cc(C)cn3)CC2)cc1 ZINC000264076123 455189379 /nfs/dbraw/zinc/18/93/79/455189379.db2.gz COFANBHSBPUZNB-UHFFFAOYSA-N 1 0 342.487 3.193 10 10 EGCERO C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)N(C)Cc1ccccc1O ZINC000181061769 455282510 /nfs/dbraw/zinc/28/25/10/455282510.db2.gz GPJISMZJUUAWRK-INIZCTEOSA-N 1 0 341.455 3.054 10 10 EGCERO Cc1cc(Cl)cc(C[NH2+][C@@H]2CCO[C@@]3(CCSC3)C2)c1O ZINC000182636429 455557969 /nfs/dbraw/zinc/55/79/69/455557969.db2.gz QKSYZDRWKJNLBU-ZBFHGGJFSA-N 1 0 327.877 3.498 10 10 EGCERO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccn(Cc3ccccc3)n2)c1 ZINC000284380041 455676976 /nfs/dbraw/zinc/67/69/76/455676976.db2.gz OHGRRVNHTSELSR-HNNXBMFYSA-N 1 0 337.423 3.496 10 10 EGCERO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cn(C)nc2C(F)(F)F)c1 ZINC000186151715 455704073 /nfs/dbraw/zinc/70/40/73/455704073.db2.gz XIUHAPBDXXNFDY-SECBINFHSA-N 1 0 329.322 3.004 10 10 EGCERO Cc1ccc(O)c(C[NH+]2CCC(CNC(=O)OC(C)(C)C)CC2)c1 ZINC000271061331 456115937 /nfs/dbraw/zinc/11/59/37/456115937.db2.gz GQTFVNIUUANPFE-UHFFFAOYSA-N 1 0 334.460 3.437 10 10 EGCERO CC(C)(C)OC(=O)N1CC[C@@H](C[NH2+]Cc2c(O)cccc2Cl)C1 ZINC000230167431 456134433 /nfs/dbraw/zinc/13/44/33/456134433.db2.gz HBFHFQCVMZEDRS-LBPRGKRZSA-N 1 0 340.851 3.392 10 10 EGCERO C[C@]12C[C@H]1CCC[C@@H]2[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000282060508 456404210 /nfs/dbraw/zinc/40/42/10/456404210.db2.gz GTJZAMKFNKENRW-XPGWFJOJSA-N 1 0 332.463 3.455 10 10 EGCERO COc1cc(O)c(C[N@H+](C)[C@@H](C)[C@H]2Cc3ccccc3O2)cc1OC ZINC000371469764 457947697 /nfs/dbraw/zinc/94/76/97/457947697.db2.gz GNWCYUUZTPOQBL-SCLBCKFNSA-N 1 0 343.423 3.233 10 10 EGCERO C[C@@H]1C[C@@H]([NH2+]C[C@H]2c3ccccc3C(=O)N2C)c2c1c(F)ccc2O ZINC000528008126 459794873 /nfs/dbraw/zinc/79/48/73/459794873.db2.gz WPTMLIFLUBHERX-LYRGGWFBSA-N 1 0 340.398 3.496 10 10 EGCERO C[C@H]1C[C@@H]([NH2+]CC(C)(C)C(=O)N2CCCC2)c2c1c(F)ccc2O ZINC000528015723 459796486 /nfs/dbraw/zinc/79/64/86/459796486.db2.gz MNBUDVUDUJBOEJ-GXTWGEPZSA-N 1 0 334.435 3.318 10 10 EGCERO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2cnoc2)C1 ZINC000683442768 550229890 /nfs/dbraw/zinc/22/98/90/550229890.db2.gz PMAPDHRYKINQNO-UHFFFAOYSA-N 1 0 338.411 3.035 10 10 EGCERO CN(C)c1ccc(C[N@H+](C)[C@H]2CCN(c3ccccc3F)C2=O)cc1 ZINC000152850742 1293987282 /nfs/dbraw/zinc/98/72/82/1293987282.db2.gz WXPYLQPFJUKFSQ-IBGZPJMESA-N 1 0 341.430 3.129 10 10 EGCERO CC[C@@H]([NH2+]C1CCN(c2ccc(OC)cc2)CC1)[C@@H]1CCCOC1 ZINC000872030602 1296678996 /nfs/dbraw/zinc/67/89/96/1296678996.db2.gz IIJZKDMAZRXAPM-OXQOHEQNSA-N 1 0 332.488 3.459 10 10 EGCERO CC[C@H]([NH2+]C[C@H]1CCN(c2ccc(OC)cc2)C1)[C@@H]1CCCOC1 ZINC000872080839 1296722865 /nfs/dbraw/zinc/72/28/65/1296722865.db2.gz SRIRPKAIKDVNPZ-HLIPFELVSA-N 1 0 332.488 3.316 10 10 EGCERO COc1ccc(N2CC[C@@H]([NH2+][C@H](C)c3cccc(O)c3F)C2)cc1 ZINC000872085861 1296725404 /nfs/dbraw/zinc/72/54/04/1296725404.db2.gz RIOQUXFICRILFH-ZIAGYGMSSA-N 1 0 330.403 3.469 10 10 EGCERO C[C@H]([NH2+]C[C@@H]1C[C@@H]2CCC[C@@H]2O1)c1ccc(N2CCOCC2)c(F)c1 ZINC000872109967 1296736887 /nfs/dbraw/zinc/73/68/87/1296736887.db2.gz UVBDKAGEWYHEGO-VERUCKTNSA-N 1 0 348.462 3.271 10 10 EGCERO COc1ccc(O)c([C@H](C)[NH2+]CCOC(F)(F)C(F)(F)F)c1 ZINC000872110828 1296738536 /nfs/dbraw/zinc/73/85/36/1296738536.db2.gz RMARAMDWBLAOSN-QMMMGPOBSA-N 1 0 329.265 3.223 10 10 EGCERO C[C@H]1C[C@@H](NCc2ccc(O)c(O)c2)CC[N@@H+]1Cc1ccccc1 ZINC000379631124 1297535542 /nfs/dbraw/zinc/53/55/42/1297535542.db2.gz RBPOZVUYNGWLDG-YJBOKZPZSA-N 1 0 326.440 3.241 10 10 EGCERO COC(=O)c1c(CN(C)Cc2ccncc2)c2cc(F)ccc2n1C ZINC000894449192 1308896095 /nfs/dbraw/zinc/89/60/95/1308896095.db2.gz PABFPYKSABPEMK-UHFFFAOYSA-N 1 0 341.386 3.131 10 10 EGCERO COC(=O)c1c(C[N@@H+]2CC[C@@H](OC(C)C)C2)c2cc(F)ccc2n1C ZINC000895075220 1309181812 /nfs/dbraw/zinc/18/18/12/1309181812.db2.gz WOIQGLQYWVZOPQ-CQSZACIVSA-N 1 0 348.418 3.103 10 10 EGCERO COc1cc(C)cc(C[NH2+]C[C@@H]2C[C@H](c3ccccc3)CO2)c1O ZINC000895271221 1309265605 /nfs/dbraw/zinc/26/56/05/1309265605.db2.gz NMFPXXVSPFNFDV-ROUUACIJSA-N 1 0 327.424 3.372 10 10 EGCERO COc1cc(C)cc(C[NH2+]C[C@]2(C)OCCc3ccccc32)c1O ZINC000895637962 1309440503 /nfs/dbraw/zinc/44/05/03/1309440503.db2.gz BGVASVFCRGIBAF-FQEVSTJZSA-N 1 0 327.424 3.287 10 10 EGCERO COc1cc(C)cc(C[NH2+]C[C@@]2(C)OCCc3ccccc32)c1O ZINC000895637964 1309440734 /nfs/dbraw/zinc/44/07/34/1309440734.db2.gz BGVASVFCRGIBAF-HXUWFJFHSA-N 1 0 327.424 3.287 10 10 EGCERO Cc1cc(O)c(C[NH2+]C[C@@H]2CC[C@@]3(CO[C@@H](C)C3)O2)cc1Cl ZINC000895817922 1309533589 /nfs/dbraw/zinc/53/35/89/1309533589.db2.gz MPTOOVMOTBMASE-RVSPLBMKSA-N 1 0 325.836 3.170 10 10 EGCERO Cc1cncc(/C=C\C(=O)N2C[C@@H]([NH+](C)C)CCc3ccccc32)c1 ZINC000857928902 1328630281 /nfs/dbraw/zinc/63/02/81/1328630281.db2.gz VONGHIIAXJFRQX-POGDKVGISA-N 1 0 335.451 3.313 10 10 EGCERO C[C@@H]([NH2+]Cc1cc(F)c(N(C)C)cc1F)[C@@](C)(O)c1ccccc1 ZINC000858183560 1328705616 /nfs/dbraw/zinc/70/56/16/1328705616.db2.gz ATEKMHBHUQGHBA-BFUOFWGJSA-N 1 0 334.410 3.417 10 10 EGCERO COc1ccc(N2CC[NH+](C[C@H]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1F ZINC000929821008 1328710281 /nfs/dbraw/zinc/71/02/81/1328710281.db2.gz JUCNEFHHYSXJKR-ZSHCYNCHSA-N 1 0 336.451 3.160 10 10 EGCERO Oc1cccc(Br)c1C[NH2+]C[C@@H]1CCN1C1CCCC1 ZINC000858286185 1328729706 /nfs/dbraw/zinc/72/97/06/1328729706.db2.gz UIDXHHVTIPYLCL-ZDUSSCGKSA-N 1 0 339.277 3.261 10 10 EGCERO CC(=O)NCCCCC[N@H+](Cc1ccco1)Cc1ccccc1O ZINC000929973187 1328753812 /nfs/dbraw/zinc/75/38/12/1328753812.db2.gz XVLWBZHVTILCNS-UHFFFAOYSA-N 1 0 330.428 3.294 10 10 EGCERO C[C@H]([NH2+]C[C@H](O)[C@@H]1CCCO1)c1ccc(N2CCCCCC2)cc1 ZINC000858469043 1328770659 /nfs/dbraw/zinc/77/06/59/1328770659.db2.gz OAEVYEKVTJHDCG-VDGAXYAQSA-N 1 0 332.488 3.258 10 10 EGCERO c1cc(C[NH2+]Cc2ccc(N3CCSCC3)cc2)n(C2CCC2)n1 ZINC000921552791 1322350020 /nfs/dbraw/zinc/35/00/20/1322350020.db2.gz ZIAZUEOKVSSMBP-UHFFFAOYSA-N 1 0 342.512 3.451 10 10 EGCERO CCc1onc(C)c1C[NH2+]Cc1ccc(OC)c(Cn2cccn2)c1 ZINC000922982052 1322668988 /nfs/dbraw/zinc/66/89/88/1322668988.db2.gz MMRAOMLVFLLSQK-UHFFFAOYSA-N 1 0 340.427 3.089 10 10 EGCERO CC[C@@H](C[C@](C)(O)CC)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000924718619 1323130858 /nfs/dbraw/zinc/13/08/58/1323130858.db2.gz ZQDQXBLUTMFIAA-QFBILLFUSA-N 1 0 338.467 3.082 10 10 EGCERO C[C@H]([NH2+][C@@H]1CC[C@@H]2COCC[C@@H]2C1)c1ccc(N2CCOCC2)cc1 ZINC000924794784 1323166009 /nfs/dbraw/zinc/16/60/09/1323166009.db2.gz HQNGRDNKLGTSRU-MTFMMBMASA-N 1 0 344.499 3.379 10 10 EGCERO COc1ccc(N2CC[C@H]([NH2+][C@H](C)c3cc(O)cc(F)c3)C2)cc1 ZINC000926680448 1327663490 /nfs/dbraw/zinc/66/34/90/1327663490.db2.gz OLDAEPAZDVDFOO-CJNGLKHVSA-N 1 0 330.403 3.469 10 10 EGCERO COc1ccc(N2CC[C@H]([NH2+][C@@H](C3CC3)[C@H]3CCCOC3)C2)cc1 ZINC000926679130 1327663683 /nfs/dbraw/zinc/66/36/83/1327663683.db2.gz AZDYKZMDVSXBQX-ZWOKBUDYSA-N 1 0 330.472 3.069 10 10 EGCERO CC[C@@H](C[C@](C)(O)CC)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000926725138 1327684726 /nfs/dbraw/zinc/68/47/26/1327684726.db2.gz QESMNCRKXOKOQJ-FXAWDEMLSA-N 1 0 334.504 3.067 10 10 EGCERO C[C@@H]([NH2+]C[C@]1(C)CCCCO1)c1ccc(N2CCOCC2)c(F)c1 ZINC000927020807 1327824628 /nfs/dbraw/zinc/82/46/28/1327824628.db2.gz LRTIEGOJVUGRRU-BEFAXECRSA-N 1 0 336.451 3.272 10 10 EGCERO C[C@@H]([NH2+]C[C@@H](O)c1ccnn1C)c1ccc(N2CCCCCC2)cc1 ZINC000927131520 1327882952 /nfs/dbraw/zinc/88/29/52/1327882952.db2.gz JIJNYKYLYDZLFT-OXQOHEQNSA-N 1 0 342.487 3.185 10 10 EGCERO COC(=O)[C@@H]1C[N@H+](Cc2cc3c(cc2O)CCC3)Cc2ccccc21 ZINC000863333449 1329547521 /nfs/dbraw/zinc/54/75/21/1329547521.db2.gz PIIAYEOYKVMEIK-LJQANCHMSA-N 1 0 337.419 3.153 10 10 EGCERO CCN(CC)c1ccc(C[NH2+]C2CCC(CNC(C)=O)CC2)cc1F ZINC000865456736 1329699866 /nfs/dbraw/zinc/69/98/66/1329699866.db2.gz QTPYGXHZFOUMOY-UHFFFAOYSA-N 1 0 349.494 3.456 10 10 EGCERO COc1ccc(N2CC[C@@H]([NH2+]Cc3ccc(C(F)F)nc3)C2)cc1 ZINC000865621969 1329721320 /nfs/dbraw/zinc/72/13/20/1329721320.db2.gz HNNFQVUMEWVAEP-CQSZACIVSA-N 1 0 333.382 3.396 10 10 EGCERO COc1ccc(N2CCC([NH2+][C@@H](C3CCC3)[C@@H]3CCOC3)CC2)cc1 ZINC000865758702 1329735337 /nfs/dbraw/zinc/73/53/37/1329735337.db2.gz BUTSELCMJPFYMC-UTKZUKDTSA-N 1 0 344.499 3.459 10 10 EGCERO c1cc(N2CCCCC2)ccc1C[NH2+]C[C@H]1CC2(CO1)CCOCC2 ZINC000865781831 1329737793 /nfs/dbraw/zinc/73/77/93/1329737793.db2.gz UAEGFCGBZQFSCH-HXUWFJFHSA-N 1 0 344.499 3.352 10 10 EGCERO C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC3(CO2)CCOCC3)c2c1c(F)ccc2O ZINC000866530758 1330122288 /nfs/dbraw/zinc/12/22/88/1330122288.db2.gz CIMXCQTVYUYICX-VNHYZAJKSA-N 1 0 335.419 3.255 10 10 EGCERO COc1ccc(C[NH2+]C[C@@H](NC(=O)CC(C)(F)F)C2CC2)cc1C ZINC001323062094 1387278681 /nfs/dbraw/zinc/27/86/81/1387278681.db2.gz FPUURLBUTYTLBQ-OAHLLOKOSA-N 1 0 340.414 3.033 10 10 EGCERO COc1ccc(C[NH2+]C2(CNC(=O)[C@@H]3C[C@H]3C3CCC3)CC2)cc1C ZINC001323569242 1387391681 /nfs/dbraw/zinc/39/16/81/1387391681.db2.gz YSLNSRGDPHRJKI-ZWKOTPCHSA-N 1 0 342.483 3.178 10 10 EGCERO COc1ccc(C[NH2+]C2(CNC(=O)C[C@H](C)C3CC3)CC2)cc1C ZINC001323617047 1387408570 /nfs/dbraw/zinc/40/85/70/1387408570.db2.gz RMFSVMRMLLOOFZ-AWEZNQCLSA-N 1 0 330.472 3.178 10 10 EGCERO CCOC(=O)[C@@H](CC(C)C)[N@@H+]1CCCN(c2ccc(OC)cc2)CC1 ZINC001190444746 1367267301 /nfs/dbraw/zinc/26/73/01/1367267301.db2.gz AZDICXLFINMCST-LJQANCHMSA-N 1 0 348.487 3.185 10 10 EGCERO COc1ccc(C[NH2+]C2(CNC(=O)[C@@H]3C[C@H]3C(C)C)CCC2)cc1C ZINC001326910161 1388346263 /nfs/dbraw/zinc/34/62/63/1388346263.db2.gz DDVPAOIGBBGVAZ-ZWKOTPCHSA-N 1 0 344.499 3.424 10 10 EGCERO CN(C)c1ccc(CN(C(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)C2CC2)cc1 ZINC001141506184 1378336566 /nfs/dbraw/zinc/33/65/66/1378336566.db2.gz STRIOWDADNUCHZ-PXNSSMCTSA-N 1 0 343.515 3.364 10 10 EGCERO COc1ccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)CCc2ccco2)cc1C ZINC001282096534 1378475121 /nfs/dbraw/zinc/47/51/21/1378475121.db2.gz PSJBNELBANORKC-HZPDHXFCSA-N 1 0 344.455 3.212 10 10 EGCERO COc1ccc(C[NH2+]CCC[C@@H](C)NC(=O)c2cccn2C)cc1C ZINC001283124606 1378738940 /nfs/dbraw/zinc/73/89/40/1378738940.db2.gz DULQTFHFYOFOEM-MRXNPFEDSA-N 1 0 343.471 3.030 10 10 EGCERO Cc1cc(C(=O)NC23CC[NH+](CC2)C3)c(C)n1-c1ccc(Cl)cc1 ZINC001151415979 1379715768 /nfs/dbraw/zinc/71/57/68/1379715768.db2.gz JQMXNEQIBVQKOT-UHFFFAOYSA-N 1 0 343.858 3.326 10 10 EGCERO C=Cc1ccc(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)cc1 ZINC001288334815 1381782786 /nfs/dbraw/zinc/78/27/86/1381782786.db2.gz RAECXWWHXCSPNH-UHFFFAOYSA-N 1 0 335.451 3.011 10 10 EGCERO C[NH+](C)CCc1ccc(NC(=O)c2ccc(N=NC(N)=O)cc2)cc1 ZINC001292742726 1382211368 /nfs/dbraw/zinc/21/13/68/1382211368.db2.gz FUQSOJCFMPXZFZ-UHFFFAOYSA-N 1 0 339.399 3.205 10 10 EGCERO C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1Cc1ccc(N(C)C)cc1 ZINC001167341040 1383603826 /nfs/dbraw/zinc/60/38/26/1383603826.db2.gz DGCKXAPMVHFKPA-OAHLLOKOSA-N 1 0 333.476 3.194 10 10 EGCERO Cc1cc(C[N@@H+](C)C2CCS(=O)CC2)ccc1N1CCCCC1 ZINC001167683819 1383709121 /nfs/dbraw/zinc/70/91/21/1383709121.db2.gz CFNSTAIJMXKBGF-UHFFFAOYSA-N 1 0 334.529 3.328 10 10 EGCERO C[C@@H]1[C@H](C)CN(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)[C@H]1C ZINC001313410840 1384416541 /nfs/dbraw/zinc/41/65/41/1384416541.db2.gz FWWSXWQITBRYRQ-OAFZBRQQSA-N 1 0 346.519 3.041 10 10 EGCERO COc1ccc(C[NH2+][C@@H](C)[C@H](C)NC(=O)C2CC(C)(C)C2)cc1C ZINC001329027206 1388936066 /nfs/dbraw/zinc/93/60/66/1388936066.db2.gz KLOHDCKAOIJERO-GJZGRUSLSA-N 1 0 332.488 3.423 10 10 EGCERO COc1ccc(C[NH2+][C@H](CNC(=O)[C@]2(C)C=CCC2)C2CC2)cc1C ZINC001317026090 1384792817 /nfs/dbraw/zinc/79/28/17/1384792817.db2.gz LDGKLRUOGFOEKR-WIYYLYMNSA-N 1 0 342.483 3.344 10 10 EGCERO CC/C=C\CC[NH2+][C@H](C)[C@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001329201432 1389018818 /nfs/dbraw/zinc/01/88/18/1389018818.db2.gz BSJAWUKRFHMQAV-HWUUEOMMSA-N 1 0 345.447 3.302 10 10 EGCERO Cc1ccc(O)c2c1[C@@H](C)C[C@H]2[NH2+]Cc1nnc(C2CCOCC2)[nH]1 ZINC001335520960 1390697892 /nfs/dbraw/zinc/69/78/92/1390697892.db2.gz KFGFLHUZFYDNJG-GXTWGEPZSA-N 1 0 342.443 3.051 10 10 EGCERO CCCCC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001494876584 1396505640 /nfs/dbraw/zinc/50/56/40/1396505640.db2.gz PDZUJBXHDNRIER-INIZCTEOSA-N 1 0 345.447 3.186 10 10 EGCERO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)C[C@@H]2C[C@H]2C2CC2)cc1C ZINC001497861733 1396860877 /nfs/dbraw/zinc/86/08/77/1396860877.db2.gz MSMLTNYVHDDUNZ-JLSDUUJJSA-N 1 0 330.472 3.034 10 10 EGCERO C[C@H](C[NH2+]CC1CCCCC1)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001497993934 1396907709 /nfs/dbraw/zinc/90/77/09/1396907709.db2.gz AKFBYWOUHOTODX-CYBMUJFWSA-N 1 0 345.447 3.137 10 10 EGCERO COc1ccc(C[NH2+][C@H]2CCN(C(=O)CCC(F)(F)F)C2)cc1C ZINC001690662566 1404687090 /nfs/dbraw/zinc/68/70/90/1404687090.db2.gz ZDMTXUDPFIJKKE-AWEZNQCLSA-N 1 0 344.377 3.037 10 10 EGCERO CCCCC[N@@H+]1CC[C@H](CNC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001691171012 1405106986 /nfs/dbraw/zinc/10/69/86/1405106986.db2.gz LLRGORCIUXVPOB-CQSZACIVSA-N 1 0 345.447 3.091 10 10 EGCERO CCC[NH2+]CC[C@H]1CCCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001732289242 1428515674 /nfs/dbraw/zinc/51/56/74/1428515674.db2.gz SNWXQTIOVYOIHL-CQSZACIVSA-N 1 0 345.447 3.091 10 10 EGCERO COc1ccc(C[NH2+]CC[C@H](C)NC(=O)CCC(F)(F)F)cc1C ZINC001699092602 1412506808 /nfs/dbraw/zinc/50/68/08/1412506808.db2.gz BZKISWJGISZKEA-ZDUSSCGKSA-N 1 0 346.393 3.331 10 10 EGCERO COc1ccc(C[NH2+]C[C@H](C)NC(=O)C[C@@H](C)C(F)(F)F)cc1C ZINC001699418905 1412733221 /nfs/dbraw/zinc/73/32/21/1412733221.db2.gz MSDCZYQSPSGLIX-OLZOCXBDSA-N 1 0 346.393 3.186 10 10 EGCERO CCc1occc1C(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001700394998 1413926107 /nfs/dbraw/zinc/92/61/07/1413926107.db2.gz OMNSPLPQQUHJMC-CABCVRRESA-N 1 0 344.455 3.456 10 10 EGCERO COc1ccc(C[NH2+]CC[C@H](C)NC(=O)C2(CF)CCC2)cc1C ZINC001732734172 1428935263 /nfs/dbraw/zinc/93/52/63/1428935263.db2.gz QHXNEVZLXVLBHY-HNNXBMFYSA-N 1 0 336.451 3.128 10 10 EGCERO CCC[C@@H](C)C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001707061740 1417177451 /nfs/dbraw/zinc/17/74/51/1417177451.db2.gz LRTUJPCKDLMXLR-OLMNPRSZSA-N 1 0 332.488 3.424 10 10 EGCERO COc1ccc(C[NH2+][C@H](C)CNC(=O)c2occc2Cl)cc1C ZINC001713337817 1417961819 /nfs/dbraw/zinc/96/18/19/1417961819.db2.gz XZTXKSPQKVEKNH-GFCCVEGCSA-N 1 0 336.819 3.158 10 10 EGCERO COc1ccc(C[NH2+][C@H](C)CCNC(=O)c2scnc2C)cc1C ZINC001713403910 1418027344 /nfs/dbraw/zinc/02/73/44/1418027344.db2.gz NGMKFSPINFQDHZ-CYBMUJFWSA-N 1 0 347.484 3.067 10 10 EGCERO COc1ccc(C[NH2+]CCN(C)C(=O)[C@H](C)c2cccs2)cc1C ZINC001713633560 1418403633 /nfs/dbraw/zinc/40/36/33/1418403633.db2.gz QNCCGVTWFFGGKM-OAHLLOKOSA-N 1 0 346.496 3.417 10 10 EGCERO CC/C(C)=C/C(=O)N[C@H](C[NH2+]Cc1ccc(OC)c(C)c1)C1CC1 ZINC001733170738 1429273605 /nfs/dbraw/zinc/27/36/05/1429273605.db2.gz OIDOVQLECCLVFY-PMXLPMHFSA-N 1 0 330.472 3.344 10 10 EGCERO CCC(C)(C)C(=O)NC[C@@H]([NH2+]Cc1ccc(OC)c(C)c1)C1CC1 ZINC001713874307 1418670692 /nfs/dbraw/zinc/67/06/92/1418670692.db2.gz HIALHAHRPZFYRG-QGZVFWFLSA-N 1 0 332.488 3.424 10 10 EGCERO COc1ccc(C[NH2+]C[C@@H](NC(=O)[C@H]2CCC2(C)C)C2CC2)cc1C ZINC001733179525 1429281053 /nfs/dbraw/zinc/28/10/53/1429281053.db2.gz JXLRJFOSCBFFLB-QZTJIDSGSA-N 1 0 344.499 3.424 10 10 EGCERO CC(C)[NH+]1CCC(CCNC(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC001715204660 1419938439 /nfs/dbraw/zinc/93/84/39/1419938439.db2.gz SCTUQYZAYXPIJD-UHFFFAOYSA-N 1 0 345.447 3.089 10 10 EGCERO COc1ccc(C[NH2+]C2(CNC(=O)[C@H]3C[C@]3(C)C(C)C)CC2)cc1C ZINC001733257315 1429408706 /nfs/dbraw/zinc/40/87/06/1429408706.db2.gz KJBMDNYJVTUZEE-YLJYHZDGSA-N 1 0 344.499 3.424 10 10 EGCERO CCCCC[N@H+](C)C[C@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001716509132 1420741267 /nfs/dbraw/zinc/74/12/67/1420741267.db2.gz WSFXRFMBUDOFJU-ZDUSSCGKSA-N 1 0 333.436 3.089 10 10 EGCERO CC[C@H](C)[C@H](C)C(=O)NCC1([NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC001716697364 1420849952 /nfs/dbraw/zinc/84/99/52/1420849952.db2.gz PUGQDHJNYYJMFR-HOCLYGCPSA-N 1 0 332.488 3.424 10 10 EGCERO COc1ccc(C[NH2+]CCCN(C)C(=O)[C@@H]2CC23CCC3)cc1C ZINC001723139521 1424306223 /nfs/dbraw/zinc/30/62/23/1424306223.db2.gz KPKVVUXLTWHULY-KRWDZBQOSA-N 1 0 330.472 3.132 10 10 EGCERO CCCC[NH2+]C[C@H]1CC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001725668080 1426351552 /nfs/dbraw/zinc/35/15/52/1426351552.db2.gz ZWCKHIJITFPJLV-BBRMVZONSA-N 1 0 345.447 3.137 10 10 EGCERO COc1ccc(C[NH2+][C@H](C)CNC(=O)c2ccc(C)c(F)c2)cc1C ZINC001731602995 1427646847 /nfs/dbraw/zinc/64/68/47/1427646847.db2.gz CSSYJXJZTBYIRZ-OAHLLOKOSA-N 1 0 344.430 3.359 10 10 EGCERO CC/C=C(\C)C(=O)NC1CC(C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001733944004 1437760052 /nfs/dbraw/zinc/76/00/52/1437760052.db2.gz CEAPFCAQFVCZMC-MKMNVTDBSA-N 1 0 330.472 3.344 10 10 EGCERO Cc1cc(C[NH2+][C@](C)(CO)Cc2ccc(F)cc2)ccc1N(C)C ZINC001654940419 1126254754 /nfs/dbraw/zinc/25/47/54/1126254754.db2.gz MYTWXHHXIBYYJP-FQEVSTJZSA-N 1 0 330.447 3.283 10 10 EGCERO c1cnc2c(c1)cccc2CC[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000048710855 132429473 /nfs/dbraw/zinc/42/94/73/132429473.db2.gz NLNHILVHZOBEDG-UHFFFAOYSA-N 1 0 347.462 3.404 10 10 EGCERO C[C@@H]([NH2+]CCCNC(=O)c1cccs1)c1ccc(N(C)C)cc1 ZINC000089641152 454172704 /nfs/dbraw/zinc/17/27/04/454172704.db2.gz DIAXNCUSQCSZIH-CQSZACIVSA-N 1 0 331.485 3.285 10 10 EGCERO CC[C@@H]1CN(C(C)=O)CC[C@@H]1[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000089948921 454244054 /nfs/dbraw/zinc/24/40/54/454244054.db2.gz ZWSQGMGZJLAYJT-CTNGQTDRSA-N 1 0 343.515 3.414 10 10 EGCERO C[C@H]([NH2+]Cc1cn(C)nc1C(F)(F)F)c1ccc(N(C)C)cc1 ZINC000090666451 454333807 /nfs/dbraw/zinc/33/38/07/454333807.db2.gz COPTUMBSKNFYGR-NSHDSACASA-N 1 0 326.366 3.356 10 10 EGCERO CCOc1ccc(O)c(C[N@@H+]2CCC[C@H]2C[C@H](O)c2ccco2)c1 ZINC000091958907 454496124 /nfs/dbraw/zinc/49/61/24/454496124.db2.gz BITJDOCURUIKOG-YJBOKZPZSA-N 1 0 331.412 3.472 10 10 EGCERO CCCOc1ccc(C[N@H+](C)[C@@H]2CCCc3c2cnn3C)c(O)c1 ZINC000093864199 454741850 /nfs/dbraw/zinc/74/18/50/454741850.db2.gz ZVAANSUSFGDILU-QGZVFWFLSA-N 1 0 329.444 3.424 10 10 EGCERO c1cc(N2CCOCC2)ccc1C[NH2+][C@H]1CCOC2(CCCC2)C1 ZINC000136678681 454752318 /nfs/dbraw/zinc/75/23/18/454752318.db2.gz DATUMMUBTVOAHK-SFHVURJKSA-N 1 0 330.472 3.105 10 10 EGCERO C[C@H](NC[C@@H](O)C[NH+]1CCCCC1)c1ccc(N2CCCCC2)cc1 ZINC000151244383 454958354 /nfs/dbraw/zinc/95/83/54/454958354.db2.gz VIALHGFCRCOJGX-GHTZIAJQSA-N 1 0 345.531 3.174 10 10 EGCERO CCOC(=O)c1csc(CC[NH2+][C@H](C)c2cc(F)ccc2O)n1 ZINC000191555127 455495660 /nfs/dbraw/zinc/49/56/60/455495660.db2.gz LQEFJCVDOIKUOD-SNVBAGLBSA-N 1 0 338.404 3.058 10 10 EGCERO CN1CCc2cc(C[NH2+]C3CCN(C(=O)c4ccccc4)CC3)ccc21 ZINC000178866256 454986389 /nfs/dbraw/zinc/98/63/89/454986389.db2.gz VZKGDJPJIOVTPG-UHFFFAOYSA-N 1 0 349.478 3.073 10 10 EGCERO COc1ccc(N2CCC([NH2+]CCN3CCCC[C@@H]3C)CC2)cc1 ZINC000156620741 455139469 /nfs/dbraw/zinc/13/94/69/455139469.db2.gz WILHVHXQEXCTTD-KRWDZBQOSA-N 1 0 331.504 3.128 10 10 EGCERO Cc1ncsc1CN(C)C[C@H]1CC[N@H+](Cc2ccccc2O)C1 ZINC000190468607 455325742 /nfs/dbraw/zinc/32/57/42/455325742.db2.gz OPIGFKMHBICOBM-OAHLLOKOSA-N 1 0 331.485 3.111 10 10 EGCERO c1cc(N2CCCCC2)ccc1C[N@@H+]1CCS[C@H]2COCC[C@H]21 ZINC000245728168 455366593 /nfs/dbraw/zinc/36/65/93/455366593.db2.gz DYKCNBKTUZJOLJ-MOPGFXCFSA-N 1 0 332.513 3.383 10 10 EGCERO C[C@@H]([NH2+]Cc1cccnc1-n1ccnc1)c1cc(Cl)ccc1O ZINC000184989294 455482606 /nfs/dbraw/zinc/48/26/06/455482606.db2.gz DAVCJFWFFRSVFY-GFCCVEGCSA-N 1 0 328.803 3.477 10 10 EGCERO CCOC(=O)c1csc(C2CC[NH+](Cc3ccccc3O)CC2)n1 ZINC000192036600 455546929 /nfs/dbraw/zinc/54/69/29/455546929.db2.gz OSQKGRIWTJYCQK-UHFFFAOYSA-N 1 0 346.452 3.405 10 10 EGCERO COc1ccc(N2CCC([NH2+]C[C@H](CO)c3ccccc3)CC2)cc1 ZINC000161488994 455574820 /nfs/dbraw/zinc/57/48/20/455574820.db2.gz SGMBOTROLAELNW-GOSISDBHSA-N 1 0 340.467 3.030 10 10 EGCERO C[C@@H]([NH2+][C@@H]1CCN(C(=O)C2CCCCC2)C1)c1cc(F)ccc1O ZINC000185763990 455617986 /nfs/dbraw/zinc/61/79/86/455617986.db2.gz DTSRSKNVHVOHKT-CZUORRHYSA-N 1 0 334.435 3.363 10 10 EGCERO CCc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1cc3c(cc1O)CCCC3)CC2 ZINC000185995706 455671006 /nfs/dbraw/zinc/67/10/06/455671006.db2.gz HUDPRURTVVIYRD-CJNGLKHVSA-N 1 0 340.471 3.091 10 10 EGCERO CC[N@H+](Cc1cc(C)ncn1)Cc1cc(Br)ccc1O ZINC000292540925 455691709 /nfs/dbraw/zinc/69/17/09/455691709.db2.gz PWZJNMDLAGQBNV-UHFFFAOYSA-N 1 0 336.233 3.275 10 10 EGCERO C[C@H]([NH2+][C@@H]1CCN(Cc2ccccn2)C[C@H]1C)c1cc(F)ccc1O ZINC000248499588 455717608 /nfs/dbraw/zinc/71/76/08/455717608.db2.gz MWEQBOKLJBJNGG-ZRGWGRIASA-N 1 0 343.446 3.488 10 10 EGCERO CCO[C@@H]1C[C@H]([NH2+]Cc2cc(OC)ccc2O)[C@H]1Oc1ccccc1 ZINC000248589385 455721063 /nfs/dbraw/zinc/72/10/63/455721063.db2.gz YXAAUUOPCRTQFR-DFQSSKMNSA-N 1 0 343.423 3.115 10 10 EGCERO CCO[C@H]1C[C@@H]([NH2+]Cc2cc(Cl)cc(C)c2O)C12CCOCC2 ZINC000186455127 455772456 /nfs/dbraw/zinc/77/24/56/455772456.db2.gz IOOKXRYLKNWDIA-CVEARBPZSA-N 1 0 339.863 3.418 10 10 EGCERO Cc1cc(N2CCC[C@@H]([NH2+][C@H](C)c3cc(C)ccc3O)C2)n(C)n1 ZINC000278467393 455836770 /nfs/dbraw/zinc/83/67/70/455836770.db2.gz NHRULWKCQSEWBC-HZPDHXFCSA-N 1 0 328.460 3.062 10 10 EGCERO Cc1ccncc1C[NH2+]Cc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000279947105 455877864 /nfs/dbraw/zinc/87/78/64/455877864.db2.gz OEESBVMYHWVIGH-HZPDHXFCSA-N 1 0 343.446 3.433 10 10 EGCERO C[N@H+](Cc1ccccc1O)C[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC000195163093 455928354 /nfs/dbraw/zinc/92/83/54/455928354.db2.gz SRRCBGUHSFERBU-LJQANCHMSA-N 1 0 334.460 3.471 10 10 EGCERO C[C@H]([NH2+][C@H]1CCN(Cc2ccc(F)cc2)C1=O)c1cc(F)ccc1O ZINC000189044627 456209696 /nfs/dbraw/zinc/20/96/96/456209696.db2.gz OVDPUHCWAKIUGI-SJCJKPOMSA-N 1 0 346.377 3.122 10 10 EGCERO Cn1cc(CC[NH2+]Cc2ccc(OCc3ccccc3)cc2O)cn1 ZINC000290218375 456268776 /nfs/dbraw/zinc/26/87/76/456268776.db2.gz RLAQDJZJRBGMIS-UHFFFAOYSA-N 1 0 337.423 3.037 10 10 EGCERO Cc1cc(Cl)cc(C[NH2+]C[C@H]2CCC3(CCOCC3)[C@H]2O)c1O ZINC000283115604 456714446 /nfs/dbraw/zinc/71/44/46/456714446.db2.gz UVCKIVGBQXCXIM-DYVFJYSZSA-N 1 0 339.863 3.011 10 10 EGCERO C[C@@H]1C[C@@]2(CCO1)C[N@@H+](Cc1cc(Cl)ccc1O)C[C@H](C)O2 ZINC000366790789 457899623 /nfs/dbraw/zinc/89/96/23/457899623.db2.gz BFGNNARNFBOMLC-IGCXYCKISA-N 1 0 325.836 3.204 10 10 EGCERO Cc1cc(Cl)cc(C[N@H+]2C[C@H](C)O[C@@]3(CCCOC3)C2)c1O ZINC000373634857 458560058 /nfs/dbraw/zinc/56/00/58/458560058.db2.gz GEFSISIJAOKJIM-GUYCJALGSA-N 1 0 325.836 3.124 10 10 EGCERO Cc1ccc(O)c(C[N@@H+]2C[C@@H]3CC[C@@H](NC(=O)OC(C)(C)C)[C@H]3C2)c1 ZINC000248569620 1296419440 /nfs/dbraw/zinc/41/94/40/1296419440.db2.gz CJXHEBTXCXOJCX-BHYGNILZSA-N 1 0 346.471 3.436 10 10 EGCERO CCOc1ccc(C[NH2+]CC[C@H]2CCC3(CCOCC3)CO2)c(O)c1 ZINC000886300646 1303427242 /nfs/dbraw/zinc/42/72/42/1303427242.db2.gz MVFDUOKQDJQTPJ-QGZVFWFLSA-N 1 0 349.471 3.246 10 10 EGCERO COc1cc(C)cc(C[NH2+][C@@H](C)c2ccc(-n3cncn3)cc2)c1O ZINC000894158437 1306251286 /nfs/dbraw/zinc/25/12/86/1306251286.db2.gz QCMGBWZWCWGCBW-AWEZNQCLSA-N 1 0 338.411 3.141 10 10 EGCERO [NH3+][C@H]1CC[C@H](N(Cc2cc(F)cc(F)c2O)c2ccccn2)CC1 ZINC000895117498 1309198114 /nfs/dbraw/zinc/19/81/14/1309198114.db2.gz VKRQZXLYOVHBLC-SHTZXODSSA-N 1 0 333.382 3.342 10 10 EGCERO COc1cc(Cl)cc(C[NH2+][C@@]2(c3ccccc3)C[C@@H](O)C2)c1O ZINC000895512237 1309380119 /nfs/dbraw/zinc/38/01/19/1309380119.db2.gz JUYQAFGVIMLCPU-RHNCMZPLSA-N 1 0 333.815 3.194 10 10 EGCERO Oc1cc2c(cc1C[N@@H+]1CCCC[C@H](C3CCOCC3)C1)OCO2 ZINC000895717140 1309486097 /nfs/dbraw/zinc/48/60/97/1309486097.db2.gz NICBPMNXPXXYRE-HNNXBMFYSA-N 1 0 333.428 3.150 10 10 EGCERO O=C(c1cc2cc(O)c(O)cc2s1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000896260457 1309774276 /nfs/dbraw/zinc/77/42/76/1309774276.db2.gz RAQNLFQIXWVYRT-ZDUSSCGKSA-N 1 0 346.452 3.013 10 10 EGCERO CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC000896959968 1310106837 /nfs/dbraw/zinc/10/68/37/1310106837.db2.gz RBVOUZHBYYNQAP-GFCCVEGCSA-N 1 0 348.468 3.020 10 10 EGCERO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000897320686 1310289007 /nfs/dbraw/zinc/28/90/07/1310289007.db2.gz CMMXTHPPIFHMDG-NSHDSACASA-N 1 0 348.468 3.115 10 10 EGCERO O=C(N[C@H]1CCC[N@@H+]2CCCC[C@H]12)c1cc2cc(O)c(O)cc2s1 ZINC000898440509 1310736841 /nfs/dbraw/zinc/73/68/41/1310736841.db2.gz VOLJCEYOQJYGSF-QWHCGFSZSA-N 1 0 346.452 3.059 10 10 EGCERO C[C@@H]([NH2+][C@@H]1c2ccccc2CN(C)C1=O)c1cc(Cl)ccc1O ZINC000857875385 1328611938 /nfs/dbraw/zinc/61/19/38/1328611938.db2.gz LXWADKFGYUETTG-PIGZYNQJSA-N 1 0 330.815 3.410 10 10 EGCERO Cc1ccc(/C=C\C(=O)N2C[C@@H]([NH+](C)C)CCc3ccccc32)cn1 ZINC000857925652 1328627377 /nfs/dbraw/zinc/62/73/77/1328627377.db2.gz ALHRINKLPSICRI-XGCMIMOYSA-N 1 0 335.451 3.313 10 10 EGCERO COc1ccc(CN2CC[C@H]2C[NH2+]Cc2ccc(N(C)C)cc2)cc1 ZINC000858238267 1328719204 /nfs/dbraw/zinc/71/92/04/1328719204.db2.gz ROJRNPFQYSWYKO-FQEVSTJZSA-N 1 0 339.483 3.125 10 10 EGCERO C[C@H]([NH2+][C@@H](CO)c1ccnn1C)c1ccc(N2CCCCCC2)cc1 ZINC000858434182 1328761654 /nfs/dbraw/zinc/76/16/54/1328761654.db2.gz CTEJPOSLCZIOEZ-LPHOPBHVSA-N 1 0 342.487 3.185 10 10 EGCERO C[C@@H]([NH2+]C[C@H]1COCCN1C)c1ccc(N2CCCCCC2)cc1 ZINC000858522449 1328787463 /nfs/dbraw/zinc/78/74/63/1328787463.db2.gz ZAHAOWAFXUPODZ-XLIONFOSSA-N 1 0 331.504 3.048 10 10 EGCERO CCN(CC)c1ccc(CNC(=O)NCC[N@@H+]2CCCC[C@H]2C)cc1 ZINC000918206657 1319934186 /nfs/dbraw/zinc/93/41/86/1319934186.db2.gz KZSYPOIQPUDDJG-QGZVFWFLSA-N 1 0 346.519 3.206 10 10 EGCERO c1ccc2nc(C[NH2+]Cc3ccc(N4CCOCC4)cc3)ccc2c1 ZINC000921065691 1322251740 /nfs/dbraw/zinc/25/17/40/1322251740.db2.gz FTWCQBOBZHYUHU-UHFFFAOYSA-N 1 0 333.435 3.361 10 10 EGCERO C[C@H]1COC2(CCCC2)C[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000931056071 1329038127 /nfs/dbraw/zinc/03/81/27/1329038127.db2.gz ITIYSUHJHDCKEJ-KRWDZBQOSA-N 1 0 330.472 3.057 10 10 EGCERO CCc1noc([C@@H]2CC[C@@H]([NH2+][C@H](C)c3cccc(OC)c3O)C2)n1 ZINC000927057712 1327834193 /nfs/dbraw/zinc/83/41/93/1327834193.db2.gz PERNSQSLRXMAIT-JHJVBQTASA-N 1 0 331.416 3.333 10 10 EGCERO Cc1c(C[NH2+]Cc2ccc(N3CCSCC3)cc2)ccnc1F ZINC000862273536 1329472879 /nfs/dbraw/zinc/47/28/79/1329472879.db2.gz JKXHOPMUUZUQIJ-UHFFFAOYSA-N 1 0 331.460 3.372 10 10 EGCERO Fc1cc(C[NH+]2CC(Cc3cccs3)C2)ccc1N1CCOCC1 ZINC000862537759 1329493899 /nfs/dbraw/zinc/49/38/99/1329493899.db2.gz GQAQMIKAJCKNKH-UHFFFAOYSA-N 1 0 346.471 3.398 10 10 EGCERO COc1ccc(N2CCC([NH2+][C@H](C3CCC3)[C@@H]3CCOC3)CC2)cc1 ZINC000865758700 1329735607 /nfs/dbraw/zinc/73/56/07/1329735607.db2.gz BUTSELCMJPFYMC-DYESRHJHSA-N 1 0 344.499 3.459 10 10 EGCERO CC(=O)NCC1CCC([NH2+][C@H](C)Cc2ccc(N(C)C)cc2C)CC1 ZINC000866375241 1330103809 /nfs/dbraw/zinc/10/38/09/1330103809.db2.gz SJIGVXGGJKHVCW-PPDQVPDSSA-N 1 0 345.531 3.277 10 10 EGCERO C[C@@H]([NH2+][C@@H]1CCCn2nccc21)c1ccc(N2CCOCC2)c(F)c1 ZINC000866631985 1330135709 /nfs/dbraw/zinc/13/57/09/1330135709.db2.gz HHKPNMVFXJPPLK-RHSMWYFYSA-N 1 0 344.434 3.045 10 10 EGCERO CC[C@H](C[C@H](C)O)[NH2+][C@@H](C)c1cc(Br)cc(OC)c1O ZINC000866633232 1330135998 /nfs/dbraw/zinc/13/59/98/1330135998.db2.gz GVXBSXCPVBQTOS-JBLDHEPKSA-N 1 0 346.265 3.363 10 10 EGCERO Cc1cc(C[N@@H+]2CCN(C)[C@H](Cc3ccccc3)C2)ccc1N(C)C ZINC001307747574 1384024485 /nfs/dbraw/zinc/02/44/85/1384024485.db2.gz BQGHUCFXHPYQDM-OAQYLSRUSA-N 1 0 337.511 3.420 10 10 EGCERO COc1ccc(C[NH2+][C@H](C)CNC(=O)c2sccc2F)cc1C ZINC001317233470 1385010667 /nfs/dbraw/zinc/01/06/67/1385010667.db2.gz CBAQKMCQOOGVML-GFCCVEGCSA-N 1 0 336.432 3.112 10 10 EGCERO Cc1cc(C[N@H+](C)CCc2ccc3c(c2)OCO3)ccc1N(C)C ZINC001176185139 1385505959 /nfs/dbraw/zinc/50/59/59/1385505959.db2.gz MQOWYYFYPOKQHB-UHFFFAOYSA-N 1 0 326.440 3.464 10 10 EGCERO COc1ccc(C[NH2+]CCCN(C)C(=O)[C@@H]2C[C@H]2C(C)C)cc1C ZINC001322767338 1387235814 /nfs/dbraw/zinc/23/58/14/1387235814.db2.gz KCQIRSMJIJMEFI-ZWKOTPCHSA-N 1 0 332.488 3.234 10 10 EGCERO COc1ccc(C[NH2+][C@@H](CCN(C)C(=O)C(F)F)C(C)C)cc1C ZINC001329720912 1389209349 /nfs/dbraw/zinc/20/93/49/1389209349.db2.gz PNCQKDFZSPXLNJ-HNNXBMFYSA-N 1 0 342.430 3.231 10 10 EGCERO COc1ccc(C[NH2+]C[C@H](C)CNC(=O)C2C=CC=CC=C2)cc1C ZINC001698751260 1406402637 /nfs/dbraw/zinc/40/26/37/1406402637.db2.gz RBIWQCNHZPABJY-INIZCTEOSA-N 1 0 340.467 3.144 10 10 EGCERO C[C@@H]([NH2+][C@H]1C[C@@H]2[C@H](C1)C2(F)F)c1ccc(N2CCOCC2)c(F)c1 ZINC001333322861 1390283697 /nfs/dbraw/zinc/28/36/97/1390283697.db2.gz RNEKTHXAEVLFGW-REBRKWNGSA-N 1 0 340.389 3.357 10 10 EGCERO Fc1cc(C[NH2+][C@@H]2CC[C@@H]3[C@H](C2)C3(F)F)ccc1N1CCOCC1 ZINC001333846066 1390421150 /nfs/dbraw/zinc/42/11/50/1390421150.db2.gz HQOVBBRFHZIZRI-KFWWJZLASA-N 1 0 340.389 3.186 10 10 EGCERO COc1ccc(C[NH2+]CCN(C)C(=O)[C@H]2CCC[C@@H](F)C2)cc1C ZINC001481228783 1393151599 /nfs/dbraw/zinc/15/15/99/1393151599.db2.gz GDGFIWUWOQOJAG-DLBZAZTESA-N 1 0 336.451 3.080 10 10 EGCERO COc1ccc(C[NH2+]CCN(C)C(=O)[C@H]2CCC[C@H](F)C2)cc1C ZINC001481228786 1393151635 /nfs/dbraw/zinc/15/16/35/1393151635.db2.gz GDGFIWUWOQOJAG-IRXDYDNUSA-N 1 0 336.451 3.080 10 10 EGCERO COc1ccc(C[NH2+][C@H](CNC(=O)[C@@H](C)C(C)C)C2CC2)cc1C ZINC001490715658 1394304898 /nfs/dbraw/zinc/30/48/98/1394304898.db2.gz BKOLJKPXOIZDLC-MAUKXSAKSA-N 1 0 332.488 3.280 10 10 EGCERO COc1ccc(C[NH2+]CCN(C)C(=O)[C@@]2(C)CC=CCC2)cc1C ZINC001691331100 1405206484 /nfs/dbraw/zinc/20/64/84/1405206484.db2.gz RDCAOFLAXPCXPC-FQEVSTJZSA-N 1 0 330.472 3.298 10 10 EGCERO COc1ccc(C[NH2+]C[C@H](NC(=O)c2coc(C)c2)C2CC2)cc1C ZINC001699576833 1412932739 /nfs/dbraw/zinc/93/27/39/1412932739.db2.gz XWEIQGQDYZHGIM-SFHVURJKSA-N 1 0 342.439 3.203 10 10 EGCERO COc1ccc(C[NH2+][C@@H](C)[C@H](C)NC(=O)C2(CF)CCC2)cc1C ZINC001700414463 1413958233 /nfs/dbraw/zinc/95/82/33/1413958233.db2.gz BHPPHJRLYOUFPS-GJZGRUSLSA-N 1 0 336.451 3.126 10 10 EGCERO CC[C@H](F)C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001707113116 1417206195 /nfs/dbraw/zinc/20/61/95/1417206195.db2.gz HDBBHKHOILQZQJ-BBWFWOEESA-N 1 0 336.451 3.126 10 10 EGCERO COc1ccc(C[NH2+]C2CCC(NC(=O)CCCF)CC2)cc1C ZINC001713289276 1417916570 /nfs/dbraw/zinc/91/65/70/1417916570.db2.gz RSTZVWDGHQGPPQ-UHFFFAOYSA-N 1 0 336.451 3.270 10 10 EGCERO CCCCC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001713520118 1418261164 /nfs/dbraw/zinc/26/11/64/1418261164.db2.gz NXYNVNQLFYYMRK-MRXNPFEDSA-N 1 0 345.447 3.233 10 10 EGCERO COc1ccc(C[NH2+]C[C@](C)(NC(=O)C(C)(F)F)C2CC2)cc1C ZINC001715107698 1419849520 /nfs/dbraw/zinc/84/95/20/1419849520.db2.gz VLDOGRSACZXHKO-KRWDZBQOSA-N 1 0 340.414 3.033 10 10 EGCERO COc1ccc(C[NH2+][C@H](CNC(=O)c2cocc2C)C(C)C)cc1C ZINC001715505952 1420189126 /nfs/dbraw/zinc/18/91/26/1420189126.db2.gz UJWNFEPZFRAKGA-GOSISDBHSA-N 1 0 344.455 3.449 10 10 EGCERO CC(C)CCC[NH2+][C@@H](C)CN(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001717757979 1421621063 /nfs/dbraw/zinc/62/10/63/1421621063.db2.gz RZQDTEVULHNGKP-AWEZNQCLSA-N 1 0 347.463 3.335 10 10 EGCERO COc1ccc(C[NH2+]CC2CC(NC(=O)CCC(C)C)C2)cc1C ZINC001725056351 1425493843 /nfs/dbraw/zinc/49/38/43/1425493843.db2.gz KJIMFKQMLLHBJW-UHFFFAOYSA-N 1 0 332.488 3.424 10 10 EGCERO C[C@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)[N@H+](C)CC1CCCC1 ZINC001725199278 1425756119 /nfs/dbraw/zinc/75/61/19/1425756119.db2.gz ALYDBEDYLRZARD-CYBMUJFWSA-N 1 0 345.447 3.089 10 10 EGCERO CC[C@@H](C)[C@@H](C)C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001731455378 1427431379 /nfs/dbraw/zinc/43/13/79/1427431379.db2.gz POOJRDSQHBQWIB-MOIQIXESSA-N 1 0 332.488 3.423 10 10 EGCERO COc1ccc(C[NH2+]CCN(C)C(=O)[C@H]2CC23CCCC3)cc1C ZINC001731970399 1428188466 /nfs/dbraw/zinc/18/84/66/1428188466.db2.gz ANOMOHVZDGDIOJ-QGZVFWFLSA-N 1 0 330.472 3.132 10 10 EGCERO COc1ccc(C[NH2+]C[C@@H](NC(=O)[C@H]2CC23CC3)C(C)(C)C)cc1C ZINC001734569502 1438164106 /nfs/dbraw/zinc/16/41/06/1438164106.db2.gz NDBZAUOHXUWYEQ-SJLPKXTDSA-N 1 0 344.499 3.424 10 10 EGCERO CN(C)c1ccc(C[NH2+][C@@](C)(CO)Cc2ccc(Cl)cc2)cc1 ZINC001460870678 1126193317 /nfs/dbraw/zinc/19/33/17/1126193317.db2.gz QKRZLBCSXOOUOT-LJQANCHMSA-N 1 0 332.875 3.489 10 10 EGCERO Fc1ccc2c(c1)CC[C@H]2[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000071837144 203124252 /nfs/dbraw/zinc/12/42/52/203124252.db2.gz VTLUATZGPHKRSD-HXUWFJFHSA-N 1 0 326.415 3.439 10 10 EGCERO CCN(C)c1ccc([C@H](C)[NH2+]C2CCN(C(=O)C(C)C)CC2)cc1 ZINC000134157302 454508963 /nfs/dbraw/zinc/50/89/63/454508963.db2.gz YYUWFITYVJFELC-INIZCTEOSA-N 1 0 331.504 3.440 10 10 EGCERO Oc1cc2c(cc1C[NH+]1CCC(Nc3ccc(F)cc3)CC1)OCO2 ZINC000092188119 454533793 /nfs/dbraw/zinc/53/37/93/454533793.db2.gz MQDZVBYMRNOHSD-UHFFFAOYSA-N 1 0 344.386 3.337 10 10 EGCERO Cc1ncc(C[NH2+][C@H](C)c2ccc(N3CCOCC3)c(F)c2)s1 ZINC000123775533 454674154 /nfs/dbraw/zinc/67/41/54/454674154.db2.gz ZIAMMCSYQJPOTM-GFCCVEGCSA-N 1 0 335.448 3.278 10 10 EGCERO CC[NH2+][C@H](Cc1cc(OC)c(OC)c(OC)c1)c1ccc(O)c(O)c1 ZINC000169330222 454930145 /nfs/dbraw/zinc/93/01/45/454930145.db2.gz SCBHHBJGVDRHPC-CQSZACIVSA-N 1 0 347.411 3.017 10 10 EGCERO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](Cc2ccccc2)CN(C)C)c1 ZINC000185091614 455499623 /nfs/dbraw/zinc/49/96/23/455499623.db2.gz KULYXGMYJHOHQE-WBVHZDCISA-N 1 0 328.456 3.224 10 10 EGCERO Cc1cc(Cl)cc(C[N@@H+]2CCC[C@H](c3nnc4n3CCC4)C2)c1O ZINC000180071111 455127272 /nfs/dbraw/zinc/12/72/72/455127272.db2.gz ASFFPQDDXMZXNO-ZDUSSCGKSA-N 1 0 346.862 3.271 10 10 EGCERO Cc1cc(Br)cc(C[N@@H+](C)[C@H]2CCN(C)[C@H](C)C2)c1O ZINC000180423189 455166922 /nfs/dbraw/zinc/16/69/22/455166922.db2.gz BMOCPKVQVTXNQC-DOMZBBRYSA-N 1 0 341.293 3.378 10 10 EGCERO CC(C)c1nc2n(n1)C[C@H]([NH2+][C@H](C)c1ccc(N(C)C)cc1)CC2 ZINC000180644796 455217275 /nfs/dbraw/zinc/21/72/75/455217275.db2.gz COTKUHQHYSERFX-GDBMZVCRSA-N 1 0 327.476 3.133 10 10 EGCERO CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3O)C[C@H]12 ZINC000184241470 455365597 /nfs/dbraw/zinc/36/55/97/455365597.db2.gz AJZRTICHVCQBQP-VNQPRFMTSA-N 1 0 332.444 3.127 10 10 EGCERO C[C@H]([NH2+][C@@H](C)c1cc(F)ccc1O)c1ccc(S(C)(=O)=O)cc1 ZINC000185171083 455515800 /nfs/dbraw/zinc/51/58/00/455515800.db2.gz OVIVKIXVYSPTKA-RYUDHWBXSA-N 1 0 337.416 3.347 10 10 EGCERO O=C1[C@@H]([NH2+]Cc2cc(Cl)ccc2O)CCN1Cc1ccc(F)cc1 ZINC000191767613 455518135 /nfs/dbraw/zinc/51/81/35/455518135.db2.gz QYDBNVKLDFZSIA-INIZCTEOSA-N 1 0 348.805 3.075 10 10 EGCERO C[C@H]([NH2+][C@H]1CCN(Cc2ccccn2)C[C@@H]1C)c1cc(F)ccc1O ZINC000185473607 455562721 /nfs/dbraw/zinc/56/27/21/455562721.db2.gz MWEQBOKLJBJNGG-DOXZYTNZSA-N 1 0 343.446 3.488 10 10 EGCERO C[C@H]1COCC[C@@H]1[NH2+]Cc1ccc(OCc2ccccc2)cc1O ZINC000277621891 455617491 /nfs/dbraw/zinc/61/74/91/455617491.db2.gz XEYICNNPJMSUMY-KXBFYZLASA-N 1 0 327.424 3.486 10 10 EGCERO Cc1cc(C[C@@H](C)[NH2+][C@H](C)c2ccc(Br)cc2O)[nH]n1 ZINC000186131520 455700593 /nfs/dbraw/zinc/70/05/93/455700593.db2.gz UXDZAQXTJKFVTC-MWLCHTKSSA-N 1 0 338.249 3.468 10 10 EGCERO CCc1cc(N2CCC[C@H]([NH2+][C@H](C)c3ccc(C)cc3O)C2)ncn1 ZINC000248516755 455718044 /nfs/dbraw/zinc/71/80/44/455718044.db2.gz OYWVAWXEQKZIFF-WBVHZDCISA-N 1 0 340.471 3.373 10 10 EGCERO COc1cc(Cl)cc(C[N@@H+]2CC[C@]3(O)CCCC[C@H]3C2)c1O ZINC000248868324 455736031 /nfs/dbraw/zinc/73/60/31/455736031.db2.gz IVDKAEBTTNANEG-SUMWQHHRSA-N 1 0 325.836 3.181 10 10 EGCERO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)CCCN3C)C12CCOCC2 ZINC000186297998 455737199 /nfs/dbraw/zinc/73/71/99/455737199.db2.gz URWLIYHBIWBSDP-WOJBJXKFSA-N 1 0 344.499 3.133 10 10 EGCERO Cc1cc(C)c([C@H](C)[NH2+]Cc2cccc(N3CCOCC3)n2)c(O)c1 ZINC000285213738 455805640 /nfs/dbraw/zinc/80/56/40/455805640.db2.gz OOYOYHFJQCDXJT-INIZCTEOSA-N 1 0 341.455 3.091 10 10 EGCERO CCOCc1cc(C[NH2+]CC2(CO)CC3(CCC3)C2)ccc1OC ZINC000278583386 455841417 /nfs/dbraw/zinc/84/14/17/455841417.db2.gz GEDGEIHHVGHKGO-UHFFFAOYSA-N 1 0 333.472 3.264 10 10 EGCERO Cc1ccc([C@H](C)[NH2+][C@@H]2CCN(Cc3ccc(F)cc3)C2=O)c(O)c1 ZINC000189035512 456206208 /nfs/dbraw/zinc/20/62/08/456206208.db2.gz SNPRZNJUFILJCX-KBXCAEBGSA-N 1 0 342.414 3.291 10 10 EGCERO Cc1ccc([C@@H](C)[NH2+]Cc2cccc(N3CCOCC3)n2)c(O)c1C ZINC000274777250 456265179 /nfs/dbraw/zinc/26/51/79/456265179.db2.gz OHAHMPXNDMKGAY-MRXNPFEDSA-N 1 0 341.455 3.091 10 10 EGCERO CCO[C@H]1C[C@@H](O)C12CC[NH+](Cc1cc(Cl)cc(C)c1O)CC2 ZINC000305756584 456555204 /nfs/dbraw/zinc/55/52/04/456555204.db2.gz AKHWFYVEQHAQNA-CVEARBPZSA-N 1 0 339.863 3.106 10 10 EGCERO COc1ccc(O)c(C[N@@H+]2CCC[C@@H](c3ncc4n3CCCC4)C2)c1 ZINC000282813017 456632995 /nfs/dbraw/zinc/63/29/95/456632995.db2.gz SSHPTHXEQWSGIP-OAHLLOKOSA-N 1 0 341.455 3.313 10 10 EGCERO CCN(CC)c1ccc(C[NH2+]C[C@@H]2CCC3(CCOCC3)[C@H]2O)cc1 ZINC000282913762 456662327 /nfs/dbraw/zinc/66/23/27/456662327.db2.gz VHYHGAGKPFKWOT-ICSRJNTNSA-N 1 0 346.515 3.190 10 10 EGCERO Cc1cc(C)c([C@H](C)[NH2+]C[C@@H]2CCC3(CCOCC3)[C@H]2O)c(O)c1 ZINC000283729225 456830991 /nfs/dbraw/zinc/83/09/91/456830991.db2.gz BYXZLIHFWLMWQY-BXWFABGCSA-N 1 0 333.472 3.227 10 10 EGCERO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@@H]2CC[C@H]2C)C1 ZINC000356749348 457147734 /nfs/dbraw/zinc/14/77/34/457147734.db2.gz OTQLCXJKGKVWNI-CRAIPNDOSA-N 1 0 339.483 3.323 10 10 EGCERO Cc1ccc(O)c(C[NH2+]C2CCN(C(=O)c3cc(Cl)c[nH]3)CC2)c1 ZINC000367601832 457966313 /nfs/dbraw/zinc/96/63/13/457966313.db2.gz PUYNDGWSODCLKH-UHFFFAOYSA-N 1 0 347.846 3.077 10 10 EGCERO CCCN(CCC)c1ccc(C[N@@H+]2CC[C@@H](n3cncn3)C2)cc1 ZINC000372362833 458290737 /nfs/dbraw/zinc/29/07/37/458290737.db2.gz ABWVOAKKRDCNQR-LJQANCHMSA-N 1 0 327.476 3.352 10 10 EGCERO Cc1cc(Br)cc(C[NH2+][C@@]23C[C@@H]2COC3(C)C)c1O ZINC000529639938 459831668 /nfs/dbraw/zinc/83/16/68/459831668.db2.gz AJUUTRTVGFOYFF-ABAIWWIYSA-N 1 0 326.234 3.120 10 10 EGCERO C[C@@H](c1ccccc1)[N@H+](C)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000727316450 574661306 /nfs/dbraw/zinc/66/13/06/574661306.db2.gz APTLCVRXVQYAJN-INIZCTEOSA-N 1 0 325.456 3.062 10 10 EGCERO CN(c1ccc(CNC(=O)[C@@H]2CC[N@H+](C)C2)cc1)C1CCCCC1 ZINC000729527014 574868114 /nfs/dbraw/zinc/86/81/14/574868114.db2.gz GGNXGDIUHJDTKE-QGZVFWFLSA-N 1 0 329.488 3.023 10 10 EGCERO CCC[N@@H+]1CCC[C@@H]1C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000731015868 575044665 /nfs/dbraw/zinc/04/46/65/575044665.db2.gz KUBPSHZVPNLVPZ-HXUWFJFHSA-N 1 0 343.515 3.414 10 10 EGCERO COc1cccc(C[NH2+]Cc2nc(-c3ccncc3)cs2)c1O ZINC000733332088 575328861 /nfs/dbraw/zinc/32/88/61/575328861.db2.gz MLNAVKVDMLXCCA-UHFFFAOYSA-N 1 0 327.409 3.209 10 10 EGCERO C[N@H+](Cc1cc2c(cc1O)CCC2)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000744438937 576828424 /nfs/dbraw/zinc/82/84/24/576828424.db2.gz UUYGHWIZHYEHBX-QGZVFWFLSA-N 1 0 346.471 3.322 10 10 EGCERO COc1ccc([C@H]2OCC[C@@H]2[NH2+][C@H](C)c2cc(F)ccc2O)cn1 ZINC000585090397 1298027986 /nfs/dbraw/zinc/02/79/86/1298027986.db2.gz JCQIKWPIXCORTD-DJCROIMJSA-N 1 0 332.375 3.116 10 10 EGCERO COc1ccccc1CC[N@H+](C)Cc1cc(OC)c(OC)cc1O ZINC000160151769 1294259852 /nfs/dbraw/zinc/25/98/52/1294259852.db2.gz BQSPWPTZNJLZPM-UHFFFAOYSA-N 1 0 331.412 3.093 10 10 EGCERO CCOc1ccccc1N1CC[NH+](Cc2ccc(OC)cc2O)CC1 ZINC000179515392 1294800481 /nfs/dbraw/zinc/80/04/81/1294800481.db2.gz QMMSMXOZPWZGEG-UHFFFAOYSA-N 1 0 342.439 3.122 10 10 EGCERO CN(C(=O)OC(C)(C)C)C1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000180133724 1294862808 /nfs/dbraw/zinc/86/28/08/1294862808.db2.gz AAALVHZSDNASHZ-UHFFFAOYSA-N 1 0 338.423 3.363 10 10 EGCERO Cc1cc(O)c(C[NH+]2CCN(c3ccnc(C)n3)CC2)cc1C(C)C ZINC000184102612 1295171492 /nfs/dbraw/zinc/17/14/92/1295171492.db2.gz CXIICAVGYIGXKR-UHFFFAOYSA-N 1 0 340.471 3.245 10 10 EGCERO COc1ccc2ccc(O)c(C[N@@H+]3CC[C@@](O)(C(F)(F)F)C3)c2c1 ZINC000191420471 1295679868 /nfs/dbraw/zinc/67/98/68/1295679868.db2.gz OMPREJQRHYNHPY-INIZCTEOSA-N 1 0 341.329 3.053 10 10 EGCERO C[C@H]([NH2+]CCC[C@H]1CCOC1=O)c1cc(Br)ccc1O ZINC000872111310 1296737585 /nfs/dbraw/zinc/73/75/85/1296737585.db2.gz CKZMRROGSIIXGC-QWRGUYRKSA-N 1 0 342.233 3.149 10 10 EGCERO C[C@@H]1C[C@H]([NH2+]Cc2ccc(O)cc2O)CCN1Cc1ccccc1 ZINC000379633980 1297534846 /nfs/dbraw/zinc/53/48/46/1297534846.db2.gz UXHRFTCOQXELOA-CRAIPNDOSA-N 1 0 326.440 3.241 10 10 EGCERO COc1cc(O)c(C[N@@H+]2CCCC[C@H](C3CCOCC3)C2)cc1OC ZINC000895716119 1309484822 /nfs/dbraw/zinc/48/48/22/1309484822.db2.gz FDTBIRIHHAZWAU-INIZCTEOSA-N 1 0 349.471 3.438 10 10 EGCERO CC(=O)c1cccc(NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)n1 ZINC000897523292 1310362608 /nfs/dbraw/zinc/36/26/08/1310362608.db2.gz SYXIPPMHPMTWSI-GOSISDBHSA-N 1 0 326.444 3.065 10 10 EGCERO CC(C)(CNC(=O)c1cc2cc(O)c(O)cc2s1)C[NH+]1CCCC1 ZINC000897555111 1310378638 /nfs/dbraw/zinc/37/86/38/1310378638.db2.gz MLXVTJYSTWVCJZ-UHFFFAOYSA-N 1 0 348.468 3.164 10 10 EGCERO C[C@@H]1C[C@H]([NH2+][C@H]2c3ccccc3CN(C)C2=O)c2c1c(F)ccc2O ZINC000857875041 1328611735 /nfs/dbraw/zinc/61/17/35/1328611735.db2.gz FPRFCVDCCGMUSL-KOXAJKMWSA-N 1 0 340.398 3.383 10 10 EGCERO C[C@H]([NH2+][C@H]1c2ccccc2CN(C)C1=O)c1ccc(Cl)cc1O ZINC000857877006 1328612641 /nfs/dbraw/zinc/61/26/41/1328612641.db2.gz LDBBYCJQLBFBGV-GTNSWQLSSA-N 1 0 330.815 3.410 10 10 EGCERO Oc1ccc(Cl)cc1CN1CCC[C@H]([NH2+]Cc2ccnc(F)c2)C1 ZINC000858137424 1328692197 /nfs/dbraw/zinc/69/21/97/1328692197.db2.gz PPXMMWYXECBEAT-INIZCTEOSA-N 1 0 349.837 3.334 10 10 EGCERO C[C@H]([NH2+]Cc1cc(F)c(N(C)C)cc1F)[C@](C)(O)c1ccccc1 ZINC000858183562 1328705956 /nfs/dbraw/zinc/70/59/56/1328705956.db2.gz ATEKMHBHUQGHBA-DJJJIMSYSA-N 1 0 334.410 3.417 10 10 EGCERO COc1ccc(N2CC[NH+](C[C@H]3C[C@@H]4[C@H](C3)C4(F)F)CC2)cc1F ZINC000929823309 1328710954 /nfs/dbraw/zinc/71/09/54/1328710954.db2.gz SRZDNBPPCVREAE-YOWGUQMCSA-N 1 0 340.389 3.248 10 10 EGCERO CCN(CC)c1ccc(C[NH2+]Cc2ccc3oc(=O)n(C)c3c2)cc1 ZINC000858294120 1328731078 /nfs/dbraw/zinc/73/10/78/1328731078.db2.gz JZTMSBFGOQRUFR-UHFFFAOYSA-N 1 0 339.439 3.268 10 10 EGCERO COc1cccc([C@H](C)[NH2+]Cc2c(C(F)(F)F)cnn2C)c1O ZINC000858452266 1328765933 /nfs/dbraw/zinc/76/59/33/1328765933.db2.gz IJUPETZKPNYYAM-VIFPVBQESA-N 1 0 329.322 3.004 10 10 EGCERO C[C@@H]([NH2+]C[C@@H]1COCCN1C)c1ccc(N2CCCCCC2)cc1 ZINC000858522450 1328787668 /nfs/dbraw/zinc/78/76/68/1328787668.db2.gz ZAHAOWAFXUPODZ-YLJYHZDGSA-N 1 0 331.504 3.048 10 10 EGCERO Cc1noc([C@H]2OCC[C@H]2[NH2+][C@H](C)c2ccc3ccccc3c2O)n1 ZINC000858591882 1328804271 /nfs/dbraw/zinc/80/42/71/1328804271.db2.gz MVRDKEVOHABAAU-ONUMYQOESA-N 1 0 339.395 3.418 10 10 EGCERO C[C@@H]([NH2+]C[C@H]1C[C@@H]2[C@H](C1)C2(F)F)c1ccc(N2CCOCC2)cc1 ZINC000930210937 1328812704 /nfs/dbraw/zinc/81/27/04/1328812704.db2.gz QNBOTYALJYQUNJ-KJWYOANISA-N 1 0 336.426 3.465 10 10 EGCERO O=c1cc(C[NH2+][C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc[nH]1 ZINC000921792741 1322398791 /nfs/dbraw/zinc/39/87/91/1322398791.db2.gz BSOUDUTXGMFDLR-AWEZNQCLSA-N 1 0 349.381 3.147 10 10 EGCERO Cn1ncc(C(F)(F)F)c1C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000922284547 1322492250 /nfs/dbraw/zinc/49/22/50/1322492250.db2.gz JKUZALYSUHSLDR-UHFFFAOYSA-N 1 0 325.334 3.054 10 10 EGCERO OC1CCN(c2ccc(C[NH2+]C[C@H]3CCCC4(CCC4)O3)cc2)CC1 ZINC000922811525 1322625125 /nfs/dbraw/zinc/62/51/25/1322625125.db2.gz KSEXCSLCESTVBU-HXUWFJFHSA-N 1 0 344.499 3.229 10 10 EGCERO c1cc(N2CCOCC2)ccc1C[NH2+][C@@H]1CCSC2(CCC2)C1 ZINC000922842807 1322631341 /nfs/dbraw/zinc/63/13/41/1322631341.db2.gz OYJYFCDDYKSOAH-QGZVFWFLSA-N 1 0 332.513 3.431 10 10 EGCERO OC1CCN(c2ccc(C[NH2+]CC[C@H]3CCC4(CCC4)O3)cc2)CC1 ZINC000922969133 1322665794 /nfs/dbraw/zinc/66/57/94/1322665794.db2.gz ZCYGBCRPSPUATB-HXUWFJFHSA-N 1 0 344.499 3.229 10 10 EGCERO CN(C)c1ccc(/C=C\C[NH2+][C@H]2C[C@@](CO)(c3ccccc3)C2)cc1 ZINC000923007547 1322672971 /nfs/dbraw/zinc/67/29/71/1322672971.db2.gz SQHHFZFXQCHGLE-MUZRAYNUSA-N 1 0 336.479 3.448 10 10 EGCERO COc1cc(N(C)CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc(OC)c1OC ZINC000923313350 1322731570 /nfs/dbraw/zinc/73/15/70/1322731570.db2.gz GCOJDOWECYHTIJ-GOOCMWNKSA-N 1 0 334.460 3.069 10 10 EGCERO COc1ccc(N2CCC([NH2+][C@@H]3CCOC[C@@H]3C(C)C)CC2)cc1 ZINC000924904904 1323207185 /nfs/dbraw/zinc/20/71/85/1323207185.db2.gz DYQPDXVOYBSONH-WOJBJXKFSA-N 1 0 332.488 3.315 10 10 EGCERO COC1CCN(c2ccc(C[NH2+][C@@H]3[C@H](C)O[C@@H](C)[C@H]3C)cc2)CC1 ZINC000859829635 1329090390 /nfs/dbraw/zinc/09/03/90/1329090390.db2.gz GCBFDPWJWCUXOM-OLPIVMHESA-N 1 0 332.488 3.203 10 10 EGCERO COc1ccc(N2CC[C@H]([NH2+][C@H](C3CC3)C3CCOCC3)C2)cc1 ZINC000926680388 1327663645 /nfs/dbraw/zinc/66/36/45/1327663645.db2.gz MLUCWJMSAKUXGQ-FXAWDEMLSA-N 1 0 330.472 3.069 10 10 EGCERO COc1ccc(N2CC[C@H]([NH2+][C@@H]3CCCC[C@H]3CCCO)C2)cc1 ZINC000926680627 1327664763 /nfs/dbraw/zinc/66/47/63/1327664763.db2.gz QEFYEVZHMYBKMT-ABSDTBQOSA-N 1 0 332.488 3.195 10 10 EGCERO CC[C@@H](C[C@@](C)(O)CC)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000926725139 1327684968 /nfs/dbraw/zinc/68/49/68/1327684968.db2.gz QESMNCRKXOKOQJ-PXNSSMCTSA-N 1 0 334.504 3.067 10 10 EGCERO CCS(=O)(=O)c1ccccc1CC[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000926909875 1327770591 /nfs/dbraw/zinc/77/05/91/1327770591.db2.gz QLXAAWGAZZHZRP-MRXNPFEDSA-N 1 0 345.464 3.005 10 10 EGCERO C[C@@H]([NH2+]C[C@H]1CCC2(CCOCC2)O1)c1cc(Cl)ccc1O ZINC000927017999 1327822667 /nfs/dbraw/zinc/82/26/67/1327822667.db2.gz XJVCAYMZQMHXQA-TZMCWYRMSA-N 1 0 325.836 3.424 10 10 EGCERO CN(C)c1cc(F)c(C[N@@H+]2CC[C@@H](Cc3ccncc3)C2)cc1F ZINC000862312810 1329475052 /nfs/dbraw/zinc/47/50/52/1329475052.db2.gz AGPUFHNSDKMXOR-HNNXBMFYSA-N 1 0 331.410 3.490 10 10 EGCERO Cn1nccc1C1=CC[N@H+](Cc2c(O)cccc2Br)CC1 ZINC000862363302 1329478022 /nfs/dbraw/zinc/47/80/22/1329478022.db2.gz LXAIJPNEOKAAEF-UHFFFAOYSA-N 1 0 348.244 3.178 10 10 EGCERO C[C@@H]([NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1)C1CC(F)(F)C1 ZINC000862390965 1329481385 /nfs/dbraw/zinc/48/13/85/1329481385.db2.gz DDYZCMSYWZKAQH-LLVKDONJSA-N 1 0 346.368 3.325 10 10 EGCERO CCN(CC)c1ccc(C[NH2+][C@@](C)(CO)c2cccc(O)c2)cc1F ZINC000862433000 1329486406 /nfs/dbraw/zinc/48/64/06/1329486406.db2.gz SAUPVMCGRLCSGW-FQEVSTJZSA-N 1 0 346.446 3.375 10 10 EGCERO COc1cc(O)c(C[N@@H+]2CC[C@H](c3ccc(O)cc3)C2)cc1OC ZINC000862540217 1329494335 /nfs/dbraw/zinc/49/43/35/1329494335.db2.gz AXYSMHSXEANOMB-AWEZNQCLSA-N 1 0 329.396 3.105 10 10 EGCERO COc1cccc([C@@H](O)C2CC[NH+](Cc3cc(F)ccc3O)CC2)c1 ZINC000862544198 1329495167 /nfs/dbraw/zinc/49/51/67/1329495167.db2.gz UBTXKABVCVNXIV-FQEVSTJZSA-N 1 0 345.414 3.486 10 10 EGCERO Cc1cc(C[NH2+][C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)on1 ZINC000865478542 1329703203 /nfs/dbraw/zinc/70/32/03/1329703203.db2.gz HLSQAOKXDCBAGI-CYBMUJFWSA-N 1 0 337.370 3.343 10 10 EGCERO CC(C)([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)[C@@H]1CCCCO1 ZINC000865745162 1329734552 /nfs/dbraw/zinc/73/45/52/1329734552.db2.gz FZFUAFMRFJGAJI-SFHVURJKSA-N 1 0 336.451 3.100 10 10 EGCERO c1cc(N2CCOCC2)ccc1C[N@@H+]1CCC[C@@H](C2CCOCC2)C1 ZINC000933089577 1329861983 /nfs/dbraw/zinc/86/19/83/1329861983.db2.gz UGMJEHDIFVBCLH-HXUWFJFHSA-N 1 0 344.499 3.162 10 10 EGCERO C[C@H]([NH2+][C@@H]1[C@H]2C[C@H]3CO[C@H]1[C@H]3C2)c1ccc(Br)cc1O ZINC000866446396 1330113586 /nfs/dbraw/zinc/11/35/86/1330113586.db2.gz VBRIZWBDELDPMZ-RIJNBJNWSA-N 1 0 338.245 3.229 10 10 EGCERO C[C@@H]([NH2+]C[C@@H]1CC2(CO1)CCOCC2)c1ccc(Cl)cc1O ZINC000866533332 1330123047 /nfs/dbraw/zinc/12/30/47/1330123047.db2.gz PUFDEASBHFQAAV-OCCSQVGLSA-N 1 0 325.836 3.282 10 10 EGCERO COc1cccc([C@H](C)[NH2+]CCc2cn(C)c3ncccc23)c1O ZINC000866572776 1330128431 /nfs/dbraw/zinc/12/84/31/1330128431.db2.gz DZFMBDSOMQJHEL-ZDUSSCGKSA-N 1 0 325.412 3.181 10 10 EGCERO C[C@@H]([NH2+][C@H]1CCCn2nccc21)c1ccc(N2CCOCC2)c(F)c1 ZINC000866631983 1330135749 /nfs/dbraw/zinc/13/57/49/1330135749.db2.gz HHKPNMVFXJPPLK-PBHICJAKSA-N 1 0 344.434 3.045 10 10 EGCERO Cc1ccc([C@@H](CNC(=O)N[C@@H](C)c2ccccc2O)[NH+](C)C)cc1 ZINC000868212680 1330262688 /nfs/dbraw/zinc/26/26/88/1330262688.db2.gz ADQXAFXEIKXNGJ-MAUKXSAKSA-N 1 0 341.455 3.364 10 10 EGCERO COc1ccc(O)c([C@H](C)NC(=O)NC2CCC(C)([NH+](C)C)CC2)c1 ZINC000869008664 1330394906 /nfs/dbraw/zinc/39/49/06/1330394906.db2.gz SJYNLMGZTIIQMN-CDJWAVJASA-N 1 0 349.475 3.024 10 10 EGCERO c1cc(N2CCOCC2)ccc1C[N@@H+]1CCCC[C@@H]1[C@@H]1CCCO1 ZINC001198685543 1369091070 /nfs/dbraw/zinc/09/10/70/1369091070.db2.gz MJKLJDFMGXBNGH-UXHICEINSA-N 1 0 330.472 3.057 10 10 EGCERO CN(C)c1ccc(/C=C/C[N@@H+]2CCC[C@@H](Cc3nccn3C)C2)cc1 ZINC001117830207 1371097282 /nfs/dbraw/zinc/09/72/82/1371097282.db2.gz ANGNZHZTKSKDRE-OQBYNLHGSA-N 1 0 338.499 3.454 10 10 EGCERO OCC1(C[NH2+]Cc2c(O)cccc2Br)CC2(CCC2)C1 ZINC001118853160 1371240634 /nfs/dbraw/zinc/24/06/34/1371240634.db2.gz XSZNLUQCTQEJGU-UHFFFAOYSA-N 1 0 340.261 3.187 10 10 EGCERO CN(c1ccc(CNC(=O)C[NH+]2CCCC2)cc1)C1CCCCC1 ZINC001136446458 1377393516 /nfs/dbraw/zinc/39/35/16/1377393516.db2.gz JLDMNWAUHOXLLP-UHFFFAOYSA-N 1 0 329.488 3.168 10 10 EGCERO Cc1ccc(NC(=O)c2ccc(N=NC(N)=O)cc2)c(C[NH+](C)C)c1 ZINC001136813246 1377425731 /nfs/dbraw/zinc/42/57/31/1377425731.db2.gz ZAJIALRKFNRXBQ-UHFFFAOYSA-N 1 0 339.399 3.471 10 10 EGCERO COc1ccc(C[NH2+]C[C@H](C)NC(=O)c2c[nH]cc2C2CC2)cc1C ZINC001275391265 1378139180 /nfs/dbraw/zinc/13/91/80/1378139180.db2.gz BTQFXFPLPIMRLF-AWEZNQCLSA-N 1 0 341.455 3.117 10 10 EGCERO COc1ccc(C[NH2+]C2CC(N(C)C(=O)C3(CF)CCC3)C2)cc1C ZINC001284795025 1380215061 /nfs/dbraw/zinc/21/50/61/1380215061.db2.gz PHNGPRRKSSHSOP-UHFFFAOYSA-N 1 0 348.462 3.222 10 10 EGCERO CC[C@H]1CCC[C@@]1(C)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001288334088 1381782560 /nfs/dbraw/zinc/78/25/60/1381782560.db2.gz BTWSDSVFSMPJAH-GHTZIAJQSA-N 1 0 343.515 3.271 10 10 EGCERO CC[NH+](CC)[C@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)CC(C)C ZINC001292955165 1382237631 /nfs/dbraw/zinc/23/76/31/1382237631.db2.gz HEVLOGIJCAMNSB-INIZCTEOSA-N 1 0 347.463 3.335 10 10 EGCERO Cc1cc(C(=O)N2CC[C@H]([NH+]3CCC3)C2)c(C)n1-c1ccccc1C ZINC001167473689 1383644116 /nfs/dbraw/zinc/64/41/16/1383644116.db2.gz OJDYKLHZZWPDBW-SFHVURJKSA-N 1 0 337.467 3.323 10 10 EGCERO COc1ccc(N2CC[NH+](C[C@H]3CCCC4(CCC4)O3)CC2)cc1F ZINC001168067846 1383809740 /nfs/dbraw/zinc/80/97/40/1383809740.db2.gz LOYBYIKTQSFTTA-QGZVFWFLSA-N 1 0 348.462 3.448 10 10 EGCERO CN(C)c1ccc(CNC(=O)C[N@@H+]2CC[C@H](C3CCCCC3)C2)cc1 ZINC001307908678 1384056297 /nfs/dbraw/zinc/05/62/97/1384056297.db2.gz CINOVAOTYIAGST-IBGZPJMESA-N 1 0 343.515 3.271 10 10 EGCERO CN(C)c1ccc(CNC(=O)C[NH2+][C@@H]2CCCCC23CCCC3)cc1 ZINC001170535372 1384336621 /nfs/dbraw/zinc/33/66/21/1384336621.db2.gz HKZSIDNZHQGMGQ-LJQANCHMSA-N 1 0 343.515 3.461 10 10 EGCERO CC[NH+](CC)[C@H](C)CNC(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC001312633148 1384361570 /nfs/dbraw/zinc/36/15/70/1384361570.db2.gz ALAWKRIPDPPODT-IAGOWNOFSA-N 1 0 348.535 3.022 10 10 EGCERO COc1ccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)/C=C\c2ccc[nH]2)cc1C ZINC001329029090 1388937618 /nfs/dbraw/zinc/93/76/18/1388937618.db2.gz YZUNXQUEXCDELP-JBILIXEDSA-N 1 0 341.455 3.028 10 10 EGCERO COc1ccc(C[NH2+][C@@H](C)CCNC(=O)[C@@H](C)C2CCC2)cc1C ZINC001317399195 1385114947 /nfs/dbraw/zinc/11/49/47/1385114947.db2.gz UIQQXYSYOSEZDL-HOTGVXAUSA-N 1 0 332.488 3.424 10 10 EGCERO COc1ccc(N2CC[NH+](CCSC(C)(C)C)CC2)c(OC)c1 ZINC001175522462 1385320623 /nfs/dbraw/zinc/32/06/23/1385320623.db2.gz HIUFFCWUHOLISL-UHFFFAOYSA-N 1 0 338.517 3.358 10 10 EGCERO COc1ccc(C[NH2+]C[C@H](C)NC(=O)[C@@]2(C)CC=CCC2)cc1C ZINC001321855284 1386996990 /nfs/dbraw/zinc/99/69/90/1386996990.db2.gz HYAUOXFVDGQRSB-JXFKEZNVSA-N 1 0 330.472 3.344 10 10 EGCERO CC[NH+](CC)CC[C@@H](C)NC(=O)NCc1c(O)ccc2c1CCCC2 ZINC001479606833 1392285902 /nfs/dbraw/zinc/28/59/02/1392285902.db2.gz DNCUVHBVIJYILN-OAHLLOKOSA-N 1 0 347.503 3.191 10 10 EGCERO COc1ccc(C[NH2+][C@@H](C)CCNC(=O)c2coc(C)c2)cc1C ZINC001480759052 1392917305 /nfs/dbraw/zinc/91/73/05/1392917305.db2.gz NFEXMQLMFYBWNE-AWEZNQCLSA-N 1 0 330.428 3.203 10 10 EGCERO CC[C@H](CNC(=O)c1cccs1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001481784746 1394529231 /nfs/dbraw/zinc/52/92/31/1394529231.db2.gz RKIPJVVQFUGDIZ-OAHLLOKOSA-N 1 0 332.469 3.363 10 10 EGCERO COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)C[C@H](C)C2CC2)cc1C ZINC001485961879 1396174265 /nfs/dbraw/zinc/17/42/65/1396174265.db2.gz UCZYFUWGCOGZLB-HOCLYGCPSA-N 1 0 332.488 3.376 10 10 EGCERO COc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)c2c(C)coc2C)cc1C ZINC001732417788 1428573163 /nfs/dbraw/zinc/57/31/63/1428573163.db2.gz YFQJFCADDDRYFD-OAHLLOKOSA-N 1 0 344.455 3.464 10 10 EGCERO CCC[NH2+]CC[C@@H]1CCCCN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001732514906 1428633854 /nfs/dbraw/zinc/63/38/54/1428633854.db2.gz BOUFJXSBGYAXPM-INIZCTEOSA-N 1 0 345.447 3.233 10 10 EGCERO COc1ccc(C[NH2+]C[C@@H](NC(=O)C2=CCCC2)C2CC2)cc1C ZINC001699575018 1412931611 /nfs/dbraw/zinc/93/16/11/1412931611.db2.gz JZJFRIQSIDFYDW-GOSISDBHSA-N 1 0 328.456 3.098 10 10 EGCERO COc1ccc(C[NH2+]C[C@]2(C)CCN(C(=O)[C@H]3CC34CC4)C2)cc1C ZINC001699848371 1413276969 /nfs/dbraw/zinc/27/69/69/1413276969.db2.gz PLSKMUFLYJVCCF-XLIONFOSSA-N 1 0 342.483 3.132 10 10 EGCERO CC[C@H](F)C(=O)N1CC[C@H](CC[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001700074157 1413488180 /nfs/dbraw/zinc/48/81/80/1413488180.db2.gz GGCXXVFAXLBFQA-RDJZCZTQSA-N 1 0 336.451 3.080 10 10 EGCERO CC(C)CCC[NH2+][C@H](C)[C@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001700430583 1413992135 /nfs/dbraw/zinc/99/21/35/1413992135.db2.gz MRLHZWGEFQLILV-KGLIPLIRSA-N 1 0 347.463 3.382 10 10 EGCERO COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)c2ccccc2F)cc1C ZINC001700739522 1414405614 /nfs/dbraw/zinc/40/56/14/1414405614.db2.gz NJDNGBRRGNODJC-OAHLLOKOSA-N 1 0 344.430 3.393 10 10 EGCERO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)CCCC(F)(F)F)cc1C ZINC001732972765 1429098674 /nfs/dbraw/zinc/09/86/74/1429098674.db2.gz MCGWMPZWSKWTMK-CYBMUJFWSA-N 1 0 346.393 3.331 10 10 EGCERO COc1ccc(C[NH2+][C@H](C)CNC(=O)[C@H]2CC[C@@H]3C[C@@H]3CC2)cc1C ZINC001713326606 1417951746 /nfs/dbraw/zinc/95/17/46/1417951746.db2.gz CBRYREUGTGRYOL-OQIJWPOYSA-N 1 0 344.499 3.424 10 10 EGCERO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H](C)C(C)(C)C)C2)cc1C ZINC001713952363 1418735715 /nfs/dbraw/zinc/73/57/15/1418735715.db2.gz GCULFHACUCKGBA-DJIMGWMZSA-N 1 0 332.488 3.423 10 10 EGCERO CCC(=CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1)CC ZINC001713983157 1418762862 /nfs/dbraw/zinc/76/28/62/1418762862.db2.gz MQAGHHRVRZEJOE-HDICACEKSA-N 1 0 330.472 3.487 10 10 EGCERO CC[C@H](CNC(=O)[C@H](C)n1cccc1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001714066612 1418862958 /nfs/dbraw/zinc/86/29/58/1418862958.db2.gz DWCYIHHUPJJFJL-FUHWJXTLSA-N 1 0 343.471 3.051 10 10 EGCERO COc1ccc(C[NH2+][C@H](C)CCNC(=O)c2ccc(C)nc2)cc1C ZINC001714459958 1419191632 /nfs/dbraw/zinc/19/16/32/1419191632.db2.gz UOPJVPJPSJQFFR-MRXNPFEDSA-N 1 0 341.455 3.005 10 10 EGCERO CC[C@H](CNC(=O)[C@H]1[C@@H]2CCC[C@@H]21)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001715051715 1419793263 /nfs/dbraw/zinc/79/32/63/1419793263.db2.gz MFXTZRMVBVRSTC-VXNCWWDNSA-N 1 0 330.472 3.034 10 10 EGCERO COc1ccc(C[NH2+]C[C@H](C)NC(=O)c2cccc(F)c2)cc1C ZINC001715966221 1420431124 /nfs/dbraw/zinc/43/11/24/1420431124.db2.gz WZGAFGUHJKXSNC-AWEZNQCLSA-N 1 0 330.403 3.051 10 10 EGCERO COc1ccc(C[NH2+]CCN(C)C(=O)[C@@H]2CC3CCC2CC3)cc1C ZINC001731988432 1428198640 /nfs/dbraw/zinc/19/86/40/1428198640.db2.gz RPDLPPGXLDLIGZ-NKELODKYSA-N 1 0 344.499 3.378 10 10 EGCERO COc1ccc(C[C@](C)(CO)[NH2+]Cc2ccc(N(C)C)c(C)c2)cc1 ZINC001620624142 1126241671 /nfs/dbraw/zinc/24/16/71/1126241671.db2.gz PWAOSRUBMOARCK-OAQYLSRUSA-N 1 0 342.483 3.153 10 10 EGCERO OCc1ccc(F)c(C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)c1 ZINC000528420490 313089487 /nfs/dbraw/zinc/08/94/87/313089487.db2.gz VKKBASBEDHPICR-GOSISDBHSA-N 1 0 345.414 3.205 10 10 EGCERO Cc1cc(O)c(C[NH+]2CCC(C(=O)NC3CC3)CC2)cc1C(C)C ZINC000068963288 454069720 /nfs/dbraw/zinc/06/97/20/454069720.db2.gz ISWCTLJEVROAAE-UHFFFAOYSA-N 1 0 330.472 3.315 10 10 EGCERO Cc1cc2n(n1)C[C@H](C[NH2+]Cc1ccc(N3CCCCC3)cc1)CN2 ZINC000069817135 454149399 /nfs/dbraw/zinc/14/93/99/454149399.db2.gz SMNPIAKGXNQHDA-GOSISDBHSA-N 1 0 339.487 3.013 10 10 EGCERO CCNC(=O)N1CC[C@@H]([NH2+][C@H](C)c2ccc(N3CCCCC3)cc2)C1 ZINC000090410593 454301901 /nfs/dbraw/zinc/30/19/01/454301901.db2.gz DFSJFHHZRGFNKI-SJLPKXTDSA-N 1 0 344.503 3.131 10 10 EGCERO COc1cccc(C[NH+]2CCC(NC(=O)C3CCCCC3)CC2)c1O ZINC000092644784 454597642 /nfs/dbraw/zinc/59/76/42/454597642.db2.gz DVVIYMKTAKZYMX-UHFFFAOYSA-N 1 0 346.471 3.062 10 10 EGCERO COc1cccc(C[N@@H+]2CC[C@H](CNc3cccc(C)n3)C2)c1O ZINC000092813288 454639311 /nfs/dbraw/zinc/63/93/11/454639311.db2.gz LANZWFSVWMBBOY-OAHLLOKOSA-N 1 0 327.428 3.038 10 10 EGCERO CCOc1ccc(O)c(C[N@@H+]2CC[C@H](CNc3cccc(C)n3)C2)c1 ZINC000092813351 454640504 /nfs/dbraw/zinc/64/05/04/454640504.db2.gz PTBVDPYRBJJADF-MRXNPFEDSA-N 1 0 341.455 3.428 10 10 EGCERO Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)c1O ZINC000180071130 455127220 /nfs/dbraw/zinc/12/72/20/455127220.db2.gz ASFFPQDDXMZXNO-CYBMUJFWSA-N 1 0 346.862 3.271 10 10 EGCERO Oc1cc2c(cc1C[NH+]1CCC(OCC3CCCC3)CC1)OCO2 ZINC000175257672 455431668 /nfs/dbraw/zinc/43/16/68/455431668.db2.gz WTEKDGGGTASVKI-UHFFFAOYSA-N 1 0 333.428 3.292 10 10 EGCERO C[C@@H]([NH2+][C@H](C)c1cc(F)ccc1O)c1ccc(S(C)(=O)=O)cc1 ZINC000185171136 455516132 /nfs/dbraw/zinc/51/61/32/455516132.db2.gz OVIVKIXVYSPTKA-VXGBXAGGSA-N 1 0 337.416 3.347 10 10 EGCERO CCO[C@H]1C[C@H]([NH2+]Cc2cc(Cl)ccc2O)C12CCOCC2 ZINC000185662849 455591674 /nfs/dbraw/zinc/59/16/74/455591674.db2.gz DKUXZHJTSHWNKA-HOTGVXAUSA-N 1 0 325.836 3.109 10 10 EGCERO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCCn3nc(C(C)C)nc32)c1 ZINC000185684034 455595697 /nfs/dbraw/zinc/59/56/97/455595697.db2.gz JPVINRKVQPKXTB-SWLSCSKDSA-N 1 0 330.432 3.301 10 10 EGCERO C[C@@H]1COCC[C@@H]1[NH2+]Cc1ccc(OCc2ccccc2)cc1O ZINC000277621879 455617455 /nfs/dbraw/zinc/61/74/55/455617455.db2.gz XEYICNNPJMSUMY-BEFAXECRSA-N 1 0 327.424 3.486 10 10 EGCERO C[C@H]([NH2+][C@H]1Cc2ccccc2[C@H]1O)c1ccc(Br)cc1O ZINC000248495537 455716434 /nfs/dbraw/zinc/71/64/34/455716434.db2.gz KWWQKQYLPKUSGX-GLZQIGESSA-N 1 0 348.240 3.464 10 10 EGCERO Cc1cc(N2CCC[C@@H]([NH2+]Cc3cc(Cl)cc(C)c3O)C2)n(C)n1 ZINC000278750631 455847544 /nfs/dbraw/zinc/84/75/44/455847544.db2.gz SDMKJLMTKXPINA-MRXNPFEDSA-N 1 0 348.878 3.155 10 10 EGCERO COC1CCN(c2ccc(C[N@@H+]3CCC[C@H]3c3cc[nH]n3)cc2)CC1 ZINC000295913156 455863619 /nfs/dbraw/zinc/86/36/19/455863619.db2.gz FUXYXMXRMXVZEK-FQEVSTJZSA-N 1 0 340.471 3.362 10 10 EGCERO CC(C)(C)OC(=O)N1CC[C@H](C[NH2+]Cc2c(O)cccc2Cl)C1 ZINC000230167434 456133774 /nfs/dbraw/zinc/13/37/74/456133774.db2.gz HBFHFQCVMZEDRS-GFCCVEGCSA-N 1 0 340.851 3.392 10 10 EGCERO Cc1ccc([C@H](C)[NH2+][C@H]2CCN(Cc3ccc(F)cc3)C2=O)c(O)c1 ZINC000189035557 456206799 /nfs/dbraw/zinc/20/67/99/456206799.db2.gz SNPRZNJUFILJCX-KSSFIOAISA-N 1 0 342.414 3.291 10 10 EGCERO N=COc1ccc([C@@H]2C(=N)C(/N=N/c3ccccn3)=NC(=N)C2=[NH2+])cc1 ZINC000299754832 456778993 /nfs/dbraw/zinc/77/89/93/456778993.db2.gz XBBKSCBSRRHRHW-BVROSVBSSA-N 1 0 346.354 3.364 10 10 EGCERO Cc1cccc(C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2C)c1O ZINC000277368905 456798615 /nfs/dbraw/zinc/79/86/15/456798615.db2.gz FPQQKGMTUJXRBU-ZBFHGGJFSA-N 1 0 334.460 3.436 10 10 EGCERO C[C@H]([NH2+][C@@H]1CCc2nc[nH]c2C1)c1ccc(Br)cc1O ZINC000368103813 458009898 /nfs/dbraw/zinc/00/98/98/458009898.db2.gz YWIDCRYXAIQGJD-GXSJLCMTSA-N 1 0 336.233 3.086 10 10 EGCERO COc1ccc(N2CCC([NH2+]CCCc3ccccn3)CC2)cc1 ZINC000376802319 458392481 /nfs/dbraw/zinc/39/24/81/458392481.db2.gz AAFIBMJXIWNHFO-UHFFFAOYSA-N 1 0 325.456 3.281 10 10 EGCERO Oc1cc2c(cc1C[N@@H+]1CCC[C@@]3(C1)OCc1ccccc13)OCO2 ZINC000373450132 458495657 /nfs/dbraw/zinc/49/56/57/458495657.db2.gz ZAUHXRBLDNPXRS-FQEVSTJZSA-N 1 0 339.391 3.142 10 10 EGCERO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCC2(C)C)C1 ZINC000579551096 459248314 /nfs/dbraw/zinc/24/83/14/459248314.db2.gz ANDLMYCNLPPWDM-UHFFFAOYSA-N 1 0 339.483 3.419 10 10 EGCERO CC(C)(C[NH2+]Cc1cc(Cl)cc(Cl)c1[O-])C(=O)N1CCCC1 ZINC000527807935 459743420 /nfs/dbraw/zinc/74/34/20/459743420.db2.gz DGXSEMGMWNGVKP-UHFFFAOYSA-N 1 0 345.270 3.437 10 10 EGCERO COC(=O)[C@@H]1CC[N@H+](Cc2cc3oc4ccccc4c3cc2O)C1 ZINC000726962592 574621588 /nfs/dbraw/zinc/62/15/88/574621588.db2.gz ZZXWQMFRVSVGEK-GFCCVEGCSA-N 1 0 325.364 3.287 10 10 EGCERO CCC[N@@H+](Cc1ccccc1O)C[C@@H](O)COc1ccc(C)cc1 ZINC000727830843 574692829 /nfs/dbraw/zinc/69/28/29/574692829.db2.gz QLLXDAFOGYXJPG-GOSISDBHSA-N 1 0 329.440 3.353 10 10 EGCERO CN(Cc1nc2ccccc2o1)c1ccc(OCC[NH+](C)C)cc1 ZINC000732411176 575268359 /nfs/dbraw/zinc/26/83/59/575268359.db2.gz RHBHPZNPGBNKKT-UHFFFAOYSA-N 1 0 325.412 3.405 10 10 EGCERO Cc1ncc(C[NH2+][C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cn1 ZINC000742384398 576777328 /nfs/dbraw/zinc/77/73/28/576777328.db2.gz AWFYNRRHOJMPLB-OAHLLOKOSA-N 1 0 348.397 3.145 10 10 EGCERO C[N@@H+]1CCC[C@H](CNC(=O)C2=CC(=O)CS2)[C@H]1c1cccs1 ZINC000743567312 576812251 /nfs/dbraw/zinc/81/22/51/576812251.db2.gz OUULBIOEZSYBRY-ABAIWWIYSA-N 1 0 336.482 3.328 10 10 EGCERO CC[N@H+](CCn1cc(C)cn1)Cc1cc(Br)ccc1O ZINC000743872884 576818122 /nfs/dbraw/zinc/81/81/22/576818122.db2.gz DQPIOYMJQCMIER-UHFFFAOYSA-N 1 0 338.249 3.182 10 10 EGCERO COc1ccc(CC[NH+]2CCN(c3ccc(OC)cc3)CC2)cc1 ZINC000066863854 1292131722 /nfs/dbraw/zinc/13/17/22/1292131722.db2.gz FIMXJYBSPCICPX-UHFFFAOYSA-N 1 0 326.440 3.069 10 10 EGCERO FC(F)(F)[C@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000179621123 1294807959 /nfs/dbraw/zinc/80/79/59/1294807959.db2.gz XSKHSKMOFUIXLD-HNNXBMFYSA-N 1 0 328.378 3.298 10 10 EGCERO C[N@@H+](Cc1ccc(OCc2ccccc2)cc1O)CC1CC(O)C1 ZINC000191159331 1295654141 /nfs/dbraw/zinc/65/41/41/1295654141.db2.gz BKXPWCWOGCMACD-UHFFFAOYSA-N 1 0 327.424 3.174 10 10 EGCERO C[NH+](C)Cc1c2ccccc2oc1C(=O)N1Cc2cccc(O)c2C1 ZINC000871203394 1296270858 /nfs/dbraw/zinc/27/08/58/1296270858.db2.gz ZPLAFDDRCYXPJD-UHFFFAOYSA-N 1 0 336.391 3.356 10 10 EGCERO O=C([C@@H](C[NH+]1CCCC1)c1ccccc1)N1Cc2cccc(O)c2C1 ZINC000871204536 1296271164 /nfs/dbraw/zinc/27/11/64/1296271164.db2.gz GADSXCXPDDOOQC-IBGZPJMESA-N 1 0 336.435 3.114 10 10 EGCERO COc1ccc(N2CC[C@H]([NH2+][C@H](C)c3cc(O)ccc3F)C2)cc1 ZINC000872085066 1296725073 /nfs/dbraw/zinc/72/50/73/1296725073.db2.gz NCRQJYLBHXTSDG-KGLIPLIRSA-N 1 0 330.403 3.469 10 10 EGCERO Cc1cc(Br)cc(C[NH2+][C@]23CCC[C@H]2OCC3)c1O ZINC000872263622 1296868402 /nfs/dbraw/zinc/86/84/02/1296868402.db2.gz RONQEYHDZKTKEE-HIFRSBDPSA-N 1 0 326.234 3.264 10 10 EGCERO CC(C)[C@@H](C)NC(=O)C1CC[NH+](Cc2cc(F)cc(F)c2[O-])CC1 ZINC000893987283 1306165439 /nfs/dbraw/zinc/16/54/39/1306165439.db2.gz QJUHHSBNZPOKTP-GFCCVEGCSA-N 1 0 340.414 3.043 10 10 EGCERO COC(=O)c1c(C[NH2+]CCCOC(C)C)c2cc(F)ccc2n1C ZINC000894151028 1306247828 /nfs/dbraw/zinc/24/78/28/1306247828.db2.gz WXEWKPGVUAGXQM-UHFFFAOYSA-N 1 0 336.407 3.009 10 10 EGCERO COc1cc(C)cc(C[NH2+][C@H](c2nnc3ccccn32)C(C)C)c1O ZINC000894388638 1306371792 /nfs/dbraw/zinc/37/17/92/1306371792.db2.gz IUXYGLNTZWKYJR-KRWDZBQOSA-N 1 0 340.427 3.239 10 10 EGCERO CCCN(Cc1c2c(nn1C)CCSC2)c1ccc(C[NH3+])cc1 ZINC000894570215 1308960480 /nfs/dbraw/zinc/96/04/80/1308960480.db2.gz SNCWISNJSKKNNA-UHFFFAOYSA-N 1 0 330.501 3.085 10 10 EGCERO COc1cc(C)cc(C[N@@H+]2C[C@H](c3ccccc3)[C@](F)(CO)C2)c1O ZINC000894882050 1309113121 /nfs/dbraw/zinc/11/31/21/1309113121.db2.gz UOMAVBXHCRHQJN-YLJYHZDGSA-N 1 0 345.414 3.009 10 10 EGCERO CCN(CC)c1ccc(C[NH2+]Cc2cnc(Br)cn2)cc1 ZINC000895409015 1309323080 /nfs/dbraw/zinc/32/30/80/1309323080.db2.gz RIKNVYIXUCIAAZ-UHFFFAOYSA-N 1 0 349.276 3.375 10 10 EGCERO COc1cc(C)cc(CN2Cc3ccccc3NC(=O)[C@H]2C)c1O ZINC000895453823 1309344996 /nfs/dbraw/zinc/34/49/96/1309344996.db2.gz PQCNFXIXTXEGOL-CYBMUJFWSA-N 1 0 326.396 3.052 10 10 EGCERO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000897320685 1310289469 /nfs/dbraw/zinc/28/94/69/1310289469.db2.gz CMMXTHPPIFHMDG-LLVKDONJSA-N 1 0 348.468 3.115 10 10 EGCERO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]Cc2ccccc2O)C12CCC2 ZINC000858225870 1328715326 /nfs/dbraw/zinc/71/53/26/1328715326.db2.gz JOSORRZYQXMHPR-MRXNPFEDSA-N 1 0 332.444 3.414 10 10 EGCERO CN(C)c1ccc(/C=C\C[NH2+]C[C@@H]2c3ccccc3C(=O)N2C)cc1 ZINC000858283297 1328728607 /nfs/dbraw/zinc/72/86/07/1328728607.db2.gz GITGEWUQBAXEGW-PXDRNWIDSA-N 1 0 335.451 3.182 10 10 EGCERO COc1ccc(N2CCC([NH2+]C[C@@H]3CCN3C3CCCC3)CC2)cc1 ZINC000858285407 1328729566 /nfs/dbraw/zinc/72/95/66/1328729566.db2.gz LJRUFNKDWCMOAH-FQEVSTJZSA-N 1 0 343.515 3.271 10 10 EGCERO COC(=O)C1=CC[C@@H]([NH2+][C@@H](C)c2ccc(Br)cc2O)C1 ZINC000858473506 1328771126 /nfs/dbraw/zinc/77/11/26/1328771126.db2.gz OXKBMHUEEIFTKX-JOYOIKCWSA-N 1 0 340.217 3.067 10 10 EGCERO COC(=O)C1=CC[C@H]([NH2+][C@H](C)c2cc(Br)ccc2O)C1 ZINC000858473442 1328771639 /nfs/dbraw/zinc/77/16/39/1328771639.db2.gz OBPDLFVPNHMTAH-SKDRFNHKSA-N 1 0 340.217 3.067 10 10 EGCERO Cc1ccc(O)c([C@@H](C)[NH2+]CC2(OCCO)CCC(F)(F)CC2)c1 ZINC000858483460 1328775347 /nfs/dbraw/zinc/77/53/47/1328775347.db2.gz NCTACCJXYVSYPA-CQSZACIVSA-N 1 0 343.414 3.308 10 10 EGCERO CCO[C@@]1(C)C[C@H]1[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000858502518 1328781721 /nfs/dbraw/zinc/78/17/21/1328781721.db2.gz MCUMBYCENMZARB-XWIAVFTESA-N 1 0 338.879 3.395 10 10 EGCERO C[C@H]([NH2+]C[C@@H]1COCCN1C)c1ccc(N2CCCCCC2)cc1 ZINC000858522447 1328787903 /nfs/dbraw/zinc/78/79/03/1328787903.db2.gz ZAHAOWAFXUPODZ-FXAWDEMLSA-N 1 0 331.504 3.048 10 10 EGCERO CC[C@H]([NH2+]Cc1ccc2oc(=O)n(C)c2c1)c1ccc(N(C)C)cc1 ZINC000858539562 1328791567 /nfs/dbraw/zinc/79/15/67/1328791567.db2.gz ZJWPMEFLEMFSKB-KRWDZBQOSA-N 1 0 339.439 3.438 10 10 EGCERO Cc1cc(C(=O)NC[C@H]2CCC[N@H+]2C)c(C)n1-c1ccc(F)cc1 ZINC000920474722 1322182047 /nfs/dbraw/zinc/18/20/47/1322182047.db2.gz KIXKNSQZKZNSSM-QGZVFWFLSA-N 1 0 329.419 3.057 10 10 EGCERO COc1ccc(N2CC[C@H]([NH2+]Cc3c(Cl)n[nH]c3C3CC3)C2)cc1 ZINC000922236962 1322484576 /nfs/dbraw/zinc/48/45/76/1322484576.db2.gz GBUQNKHGPUHAII-ZDUSSCGKSA-N 1 0 346.862 3.318 10 10 EGCERO CC[C@@H](C)[NH2+][C@@H](CNC(=O)NCc1c(O)cccc1F)c1ccco1 ZINC000922423668 1322526107 /nfs/dbraw/zinc/52/61/07/1322526107.db2.gz HNNPUTNHWDVFFN-DOMZBBRYSA-N 1 0 349.406 3.053 10 10 EGCERO CN(C)c1cc(F)c(C[NH2+]C[C@H]2CC[C@@H](C(F)(F)F)O2)cc1F ZINC000922454094 1322531285 /nfs/dbraw/zinc/53/12/85/1322531285.db2.gz BCGPHEFTMVWVFN-YGRLFVJLSA-N 1 0 338.320 3.230 10 10 EGCERO CN(C)c1ccc(/C=C/C[NH2+]CC[C@H](N(C)C)C(F)(F)F)cc1 ZINC000922754989 1322610636 /nfs/dbraw/zinc/61/06/36/1322610636.db2.gz PSVLTQHYCZNTSL-JFDDCEBESA-N 1 0 329.410 3.238 10 10 EGCERO CCN(CC)c1ccc(C[NH2+]C[C@@H]2CCN2C2CCOCC2)cc1F ZINC000922950020 1322657225 /nfs/dbraw/zinc/65/72/25/1322657225.db2.gz ABMMQSGAHMKSBO-SFHVURJKSA-N 1 0 349.494 3.015 10 10 EGCERO CCCN(CCC)c1ccc(C[NH2+][C@H]2CCc3nnn(C)c3C2)cc1 ZINC000922995833 1322671702 /nfs/dbraw/zinc/67/17/02/1322671702.db2.gz FZDWVUAOMIIOIO-KRWDZBQOSA-N 1 0 341.503 3.089 10 10 EGCERO Clc1ccnc2c1CC[C@@H]2[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000924750955 1323145918 /nfs/dbraw/zinc/14/59/18/1323145918.db2.gz HSTAYXNXBZXTAM-SFHVURJKSA-N 1 0 343.858 3.349 10 10 EGCERO CC(C)[C@H]1COCC[C@@H]1[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000924759015 1323148597 /nfs/dbraw/zinc/14/85/97/1323148597.db2.gz DTDOUIVXQGIUSO-RTWAWAEBSA-N 1 0 346.515 3.046 10 10 EGCERO C[C@H]([NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C(C)(C)CO ZINC000925163024 1325070642 /nfs/dbraw/zinc/07/06/42/1325070642.db2.gz YXXFJNYHACPRRC-KBPBESRZSA-N 1 0 342.430 3.253 10 10 EGCERO C[C@@H]([NH2+]C[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21)c1ccccc1O ZINC000926992315 1327810228 /nfs/dbraw/zinc/81/02/28/1327810228.db2.gz IBMNWBNOUGQAFB-MIGQKNRLSA-N 1 0 332.444 3.156 10 10 EGCERO OCC[C@@H]1CCCCC[N@@H+]1Cc1c(O)cccc1Br ZINC000862360162 1329477734 /nfs/dbraw/zinc/47/77/34/1329477734.db2.gz CCAWKJXJNXOTPW-LBPRGKRZSA-N 1 0 328.250 3.282 10 10 EGCERO Cc1cc(Cl)cc(C[NH2+]CC[C@@H](O)COCc2ccccc2)c1O ZINC000862547421 1329495693 /nfs/dbraw/zinc/49/56/93/1329495693.db2.gz FNDFRPBNTJGHQE-GOSISDBHSA-N 1 0 349.858 3.411 10 10 EGCERO Cc1cc(O)c(CN2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)c(Cl)c1 ZINC000863645730 1329570113 /nfs/dbraw/zinc/57/01/13/1329570113.db2.gz LZHOTLFEPNNHNN-ZYHUDNBSSA-N 1 0 336.785 3.313 10 10 EGCERO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+]Cc1cnc2c(cnn2C)c1 ZINC000865604002 1329718868 /nfs/dbraw/zinc/71/88/68/1329718868.db2.gz QQUBHTCMWQLDTB-OAHLLOKOSA-N 1 0 337.471 3.064 10 10 EGCERO COc1ccc(N2CC[C@H](C[NH2+]Cc3cnc(Cl)c(F)c3)C2)cc1 ZINC000865608611 1329719264 /nfs/dbraw/zinc/71/92/64/1329719264.db2.gz LVJJCHXURNGUNI-CYBMUJFWSA-N 1 0 349.837 3.499 10 10 EGCERO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(C3(C)OCCO3)cc2)c1 ZINC000866422969 1330109813 /nfs/dbraw/zinc/10/98/13/1330109813.db2.gz URPBSKQZXOMFCA-CQSZACIVSA-N 1 0 343.423 3.471 10 10 EGCERO Cc1ccc(O)c([C@H](C)[NH2+]Cc2ccc(CN3CCNC3=O)cc2)c1 ZINC000866576642 1330128893 /nfs/dbraw/zinc/12/88/93/1330128893.db2.gz KYSCAUGQQMUDBY-HNNXBMFYSA-N 1 0 339.439 3.077 10 10 EGCERO CC[C@@H]1[C@@H](C(=O)N(Cc2ccco2)Cc2ccccc2O)CC[N@@H+]1C ZINC000866595874 1330131234 /nfs/dbraw/zinc/13/12/34/1330131234.db2.gz RFADVXGLBARXJN-ZWKOTPCHSA-N 1 0 342.439 3.244 10 10 EGCERO C[C@H]([NH2+][C@@H]1CCCn2nccc21)c1ccc(N2CCOCC2)c(F)c1 ZINC000866631986 1330135753 /nfs/dbraw/zinc/13/57/53/1330135753.db2.gz HHKPNMVFXJPPLK-WMLDXEAASA-N 1 0 344.434 3.045 10 10 EGCERO CN(C)c1ccc(CNC(=O)C[N@H+](CC2CC2)C2CCCCC2)cc1 ZINC001190808346 1367355183 /nfs/dbraw/zinc/35/51/83/1367355183.db2.gz AJTFTTFJDGJJFX-UHFFFAOYSA-N 1 0 343.515 3.414 10 10 EGCERO COc1ccc(N(C)CC[N@H+](C)CCCOCC(F)(F)F)cc1 ZINC001195787670 1368490282 /nfs/dbraw/zinc/49/02/82/1368490282.db2.gz BFALIMGYZPLYGI-UHFFFAOYSA-N 1 0 334.382 3.032 10 10 EGCERO COc1ccc(N2CC[NH+](C[C@H]3CCC(C)(C)CO3)CC2)c(OC)c1 ZINC001197104515 1368744520 /nfs/dbraw/zinc/74/45/20/1368744520.db2.gz GKTQRIWAFCTZFO-QGZVFWFLSA-N 1 0 348.487 3.031 10 10 EGCERO CN(C)c1ccc([C@H](CNC(=O)CC2CCCCC2)[NH+](C)C)cc1 ZINC001134882597 1376765199 /nfs/dbraw/zinc/76/51/99/1376765199.db2.gz RNUOMXICNSEHPX-IBGZPJMESA-N 1 0 331.504 3.442 10 10 EGCERO Cc1ccc(C)n1-c1ccsc1C(=O)NCC1([NH+](C)C)CCC1 ZINC001138298235 1377698663 /nfs/dbraw/zinc/69/86/63/1377698663.db2.gz JDSQTRJFDBQEGV-UHFFFAOYSA-N 1 0 331.485 3.370 10 10 EGCERO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001142238914 1378424554 /nfs/dbraw/zinc/42/45/54/1378424554.db2.gz BLTZRBGYJDJOME-CYBMUJFWSA-N 1 0 345.447 3.089 10 10 EGCERO CCC[N@@H+]1CCC[C@H](C(=O)N(CC)Cc2ccc(N(C)C)cc2)C1 ZINC001142416984 1378441695 /nfs/dbraw/zinc/44/16/95/1378441695.db2.gz KSVPDLMZFTWNEC-SFHVURJKSA-N 1 0 331.504 3.223 10 10 EGCERO C[C@@H](CC[NH+](C)C)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC001290334934 1382083268 /nfs/dbraw/zinc/08/32/68/1382083268.db2.gz VFGZXWDUXVMGJB-KRWDZBQOSA-N 1 0 331.504 3.223 10 10 EGCERO Cc1cc(C[N@H+]2CCCN(C(=O)OCC(C)C)CC2)ccc1N(C)C ZINC001167284342 1383584666 /nfs/dbraw/zinc/58/46/66/1383584666.db2.gz WPKCNCOATGAHOJ-UHFFFAOYSA-N 1 0 347.503 3.361 10 10 EGCERO CCC[N@@H+]1CCC[C@H](C(=O)NCc2ccc(N3CCCCC3)cc2)C1 ZINC001299788543 1383628508 /nfs/dbraw/zinc/62/85/08/1383628508.db2.gz UNSRNZUTUOTDCM-IBGZPJMESA-N 1 0 343.515 3.415 10 10 EGCERO Cc1c(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccccc2O)cccc1[N+](=O)[O-] ZINC001308009920 1384073967 /nfs/dbraw/zinc/07/39/67/1384073967.db2.gz HMOPVLOPWKGDPH-CHWSQXEVSA-N 1 0 343.383 3.287 10 10 EGCERO c1ccc2c(c1)OC[C@H](CC[NH2+]Cc1ccc3c(c1)CCCO3)O2 ZINC001308441361 1384125873 /nfs/dbraw/zinc/12/58/73/1384125873.db2.gz MSASIGMQAKXLQB-KRWDZBQOSA-N 1 0 325.408 3.331 10 10 EGCERO COc1ccc(C[NH2+][C@H]2C[C@@H](CNC(=O)/C=C(\C)C3CC3)C2)cc1C ZINC001316612194 1384482016 /nfs/dbraw/zinc/48/20/16/1384482016.db2.gz DSSHKSPMRIZHOL-CLMAGJHMSA-N 1 0 342.483 3.344 10 10 EGCERO COc1ccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)C2CC(C)(C)C2)cc1C ZINC001329027207 1388935861 /nfs/dbraw/zinc/93/58/61/1388935861.db2.gz KLOHDCKAOIJERO-HUUCEWRRSA-N 1 0 332.488 3.423 10 10 EGCERO CC[C@@H](CNC(=O)[C@@H]1CCC1(C)C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001318560685 1385757042 /nfs/dbraw/zinc/75/70/42/1385757042.db2.gz CAUNPLFWQCIGIK-IRXDYDNUSA-N 1 0 332.488 3.424 10 10 EGCERO COC1CCN(c2ccc(C[N@@H+]3CCCC[C@]34CCOC4)cc2)CC1 ZINC001176977693 1385760899 /nfs/dbraw/zinc/76/08/99/1385760899.db2.gz NLDSYVQLLGNWDC-OAQYLSRUSA-N 1 0 344.499 3.447 10 10 EGCERO COc1ccc(C[C@@H](C)[N@H+](C)Cc2cc3c(cc2O)OCO3)cc1 ZINC001319948824 1386411687 /nfs/dbraw/zinc/41/16/87/1386411687.db2.gz URWFLGCNSJBFTL-CYBMUJFWSA-N 1 0 329.396 3.193 10 10 EGCERO CC(C)=CC[NH2+][C@@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)C(C)C ZINC001319969070 1386426131 /nfs/dbraw/zinc/42/61/31/1386426131.db2.gz VYEPSEHASYKROP-INIZCTEOSA-N 1 0 345.447 3.159 10 10 EGCERO COc1ccc(C[NH2+]C[C@H](C)NC(=O)c2sccc2F)cc1C ZINC001321842608 1386994859 /nfs/dbraw/zinc/99/48/59/1386994859.db2.gz AGBVIXONLKPDQT-LBPRGKRZSA-N 1 0 336.432 3.112 10 10 EGCERO COc1ccc(C[NH2+]C[C@@H](C)CNC(=O)C2C=CC=CC=C2)cc1C ZINC001698751261 1406402606 /nfs/dbraw/zinc/40/26/06/1406402606.db2.gz RBIWQCNHZPABJY-MRXNPFEDSA-N 1 0 340.467 3.144 10 10 EGCERO OC[C@@]1(c2ccccc2)C[C@H]([NH2+]Cc2ccc(N3CCCC3)cc2)C1 ZINC001335190912 1390652486 /nfs/dbraw/zinc/65/24/86/1390652486.db2.gz WVLARVGZTCMAQY-GRGXKFILSA-N 1 0 336.479 3.469 10 10 EGCERO CCC(CC)C[NH2+]C[C@@H](C)N(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001698863750 1406575863 /nfs/dbraw/zinc/57/58/63/1406575863.db2.gz INXWYXGQLIWQMU-CYBMUJFWSA-N 1 0 347.463 3.335 10 10 EGCERO C/C=C(\C)C(=O)N[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001480691814 1392856359 /nfs/dbraw/zinc/85/63/59/1392856359.db2.gz VIAVRVLXJGYSJM-HHEQTWLRSA-N 1 0 330.472 3.487 10 10 EGCERO CCCN(C(=O)c1ccc(N=NC(N)=O)cc1)[C@@H]1CC[N@H+](CCC)C1 ZINC001481411608 1394270865 /nfs/dbraw/zinc/27/08/65/1394270865.db2.gz GHBUFNRHERUTQA-MRXNPFEDSA-N 1 0 345.447 3.186 10 10 EGCERO COc1ccc(C[NH2+][C@@H](C)CCNC(=O)c2cnccc2C)cc1C ZINC001492000142 1396302029 /nfs/dbraw/zinc/30/20/29/1396302029.db2.gz STQLNMMLKYPIGJ-INIZCTEOSA-N 1 0 341.455 3.005 10 10 EGCERO CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H](C)CC[NH+](CC)CC ZINC001687873671 1396515572 /nfs/dbraw/zinc/51/55/72/1396515572.db2.gz KIXMRVBMEQKAPF-QGZVFWFLSA-N 1 0 348.535 3.405 10 10 EGCERO CC(C)C[C@@H](C)C[NH2+]CCN(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001691631273 1405368443 /nfs/dbraw/zinc/36/84/43/1405368443.db2.gz XAGVEWXPEKYXFH-CQSZACIVSA-N 1 0 347.463 3.193 10 10 EGCERO CC[C@H](CNC(=O)C(C)(C)C(F)F)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001732210365 1428458995 /nfs/dbraw/zinc/45/89/95/1428458995.db2.gz GIADMCVOSFRYLZ-CQSZACIVSA-N 1 0 342.430 3.279 10 10 EGCERO COc1ccc(C[NH2+]C[C@H](NC(=O)[C@@]2(C)C=CCC2)C2CC2)cc1C ZINC001699589310 1412947400 /nfs/dbraw/zinc/94/74/00/1412947400.db2.gz PHUOVGGPNUHQFC-RXVVDRJESA-N 1 0 342.483 3.344 10 10 EGCERO COc1ccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)c2cccs2)cc1C ZINC001700384797 1413911952 /nfs/dbraw/zinc/91/19/52/1413911952.db2.gz KADZKCWTCCXLIX-ZIAGYGMSSA-N 1 0 332.469 3.362 10 10 EGCERO COc1ccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)C2CC3(CC3)C2)cc1C ZINC001700417596 1413963838 /nfs/dbraw/zinc/96/38/38/1413963838.db2.gz IBPAMGZVXCBSKY-HUUCEWRRSA-N 1 0 330.472 3.177 10 10 EGCERO COc1ccc(C[NH2+][C@H]2C[C@@H](CNC(=O)C[C@H](C)C3CC3)C2)cc1C ZINC001707073481 1417185215 /nfs/dbraw/zinc/18/52/15/1417185215.db2.gz IEAYXKKNVKGPDN-UCLAIMLFSA-N 1 0 344.499 3.424 10 10 EGCERO CC[C@@H](F)C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001707113117 1417206204 /nfs/dbraw/zinc/20/62/04/1417206204.db2.gz HDBBHKHOILQZQJ-GVDBMIGSSA-N 1 0 336.451 3.126 10 10 EGCERO COc1ccc(C[NH2+]CCCN(C)C(=O)c2cc(Cl)c[nH]2)cc1C ZINC001733085708 1429237104 /nfs/dbraw/zinc/23/71/04/1429237104.db2.gz JBUHWCUPWXIPNG-UHFFFAOYSA-N 1 0 349.862 3.237 10 10 EGCERO COc1ccc(C[NH2+]CCCN(C)C(=O)c2cnc(C)s2)cc1C ZINC001733091078 1429239432 /nfs/dbraw/zinc/23/94/32/1429239432.db2.gz IMVKLSYOMKWEGE-UHFFFAOYSA-N 1 0 347.484 3.020 10 10 EGCERO COc1ccc(C[NH2+][C@@H](CNC(=O)C(C)=C2CCC2)C2CC2)cc1C ZINC001713864751 1418662045 /nfs/dbraw/zinc/66/20/45/1418662045.db2.gz NZZXTURDUUPTSW-IBGZPJMESA-N 1 0 342.483 3.488 10 10 EGCERO COc1ccc(C[NH2+][C@@H](C)CNC(=O)Cc2ccc(C)cc2)cc1C ZINC001714252136 1419037399 /nfs/dbraw/zinc/03/73/99/1419037399.db2.gz QCJJZLNBCXRKQY-KRWDZBQOSA-N 1 0 340.467 3.149 10 10 EGCERO COc1ccc(C[NH2+]C[C@@H](C)CNC(=O)C2(C)CC=CC2)cc1C ZINC001714427968 1419161584 /nfs/dbraw/zinc/16/15/84/1419161584.db2.gz PRZULHBWQJWIQN-OAHLLOKOSA-N 1 0 330.472 3.202 10 10 EGCERO COc1ccc(C[NH2+]CCN(C)C(=O)c2sccc2C)cc1C ZINC001714681210 1419471234 /nfs/dbraw/zinc/47/12/34/1419471234.db2.gz RKFCGJYQQSFKNV-UHFFFAOYSA-N 1 0 332.469 3.235 10 10 EGCERO COc1ccc(C[NH2+]C[C@@H](C)CNC(=O)[C@@H](C)C2CCC2)cc1C ZINC001715235687 1419967006 /nfs/dbraw/zinc/96/70/06/1419967006.db2.gz ODAGKZROWGWZLQ-ZBFHGGJFSA-N 1 0 332.488 3.282 10 10 EGCERO COc1ccc(C[NH2+]C/C=C/CNC(=O)c2cc(C)[nH]c2C)cc1C ZINC001715878677 1420380738 /nfs/dbraw/zinc/38/07/38/1420380738.db2.gz NYKALRVPQOQHOO-AATRIKPKSA-N 1 0 341.455 3.024 10 10 EGCERO COc1ccc(C[NH2+]CC[C@H](C)NC(=O)c2ccc(C)nc2)cc1C ZINC001716121314 1420534189 /nfs/dbraw/zinc/53/41/89/1420534189.db2.gz YVCPPDBCFAOSCE-INIZCTEOSA-N 1 0 341.455 3.005 10 10 EGCERO COc1ccc(C[NH2+]C/C=C/CNC(=O)/C=C/c2ccco2)cc1C ZINC001716262366 1420587182 /nfs/dbraw/zinc/58/71/82/1420587182.db2.gz GNVDEUUIPSUFTN-FJMRRMLCSA-N 1 0 340.423 3.072 10 10 EGCERO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)C2(C(C)(F)F)CC2)cc1C ZINC001716411962 1420642145 /nfs/dbraw/zinc/64/21/45/1420642145.db2.gz GBBCLQVIAUMPFD-CYBMUJFWSA-N 1 0 340.414 3.033 10 10 EGCERO COc1ccc(C[NH2+]CC[C@H]2CCN(C(=O)[C@H](C)C3CC3)C2)cc1C ZINC001717077893 1421101287 /nfs/dbraw/zinc/10/12/87/1421101287.db2.gz KEGLDJSKACUJKG-SJORKVTESA-N 1 0 344.499 3.378 10 10 EGCERO COc1ccc(C[NH2+]C2(CNC(=O)[C@H]3CC=CCC3)CCC2)cc1C ZINC001717147040 1421139353 /nfs/dbraw/zinc/13/93/53/1421139353.db2.gz DHFMRAFENWXLOJ-SFHVURJKSA-N 1 0 342.483 3.488 10 10 EGCERO COc1ccc(C[NH2+][C@H](C)[C@H](C)NC(=O)C(C)(C)C2CC2)cc1C ZINC001717425411 1421354526 /nfs/dbraw/zinc/35/45/26/1421354526.db2.gz RKDQCCILQDUNNV-CABCVRRESA-N 1 0 332.488 3.423 10 10 EGCERO CC/C(C)=C\C(=O)N1C[C@H](C)[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001724933665 1425319624 /nfs/dbraw/zinc/31/96/24/1425319624.db2.gz JKQXJWBTIRNVME-FGCGXKTGSA-N 1 0 330.472 3.296 10 10 EGCERO COc1ccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)Cc2ccccc2)cc1C ZINC001725090737 1425532908 /nfs/dbraw/zinc/53/29/08/1425532908.db2.gz HSSXLFURJPDVBE-DLBZAZTESA-N 1 0 340.467 3.229 10 10 EGCERO COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)c2ccoc2C)cc1C ZINC001725473920 1426146783 /nfs/dbraw/zinc/14/67/83/1426146783.db2.gz AITLNXJDTHSWGT-CQSZACIVSA-N 1 0 330.428 3.155 10 10 EGCERO COc1ccc(C[NH2+][C@@H](C)CNC(=O)[C@H]2CCCC2(C)C)cc1C ZINC001731612611 1427658287 /nfs/dbraw/zinc/65/82/87/1427658287.db2.gz NIPBZKXHMQAWGH-DOTOQJQBSA-N 1 0 332.488 3.424 10 10 EGCERO COc1ccc(C[NH2+][C@H](C)CCNC(=O)c2cccc(C)n2)cc1C ZINC001731722911 1427794928 /nfs/dbraw/zinc/79/49/28/1427794928.db2.gz MDIWHBJHPQTJPD-OAHLLOKOSA-N 1 0 341.455 3.005 10 10 EGCERO COc1cccc([C@@H](C)[NH2+]C[C@]2(C)COc3ccccc3O2)c1O ZINC000527932919 312976132 /nfs/dbraw/zinc/97/61/32/312976132.db2.gz RLRWUNKBHIBKDL-BFUOFWGJSA-N 1 0 329.396 3.282 10 10 EGCERO C[C@H]([NH2+][C@H]1CCc2nc[nH]c2C1)c1ccc(Br)cc1O ZINC000368103816 458010572 /nfs/dbraw/zinc/01/05/72/458010572.db2.gz YWIDCRYXAIQGJD-ONGXEEELSA-N 1 0 336.233 3.086 10 10 EGCERO COc1ccc(C[NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)cc1 ZINC000071825308 454225766 /nfs/dbraw/zinc/22/57/66/454225766.db2.gz NWMIDBFFNXULIV-UHFFFAOYSA-N 1 0 344.430 3.085 10 10 EGCERO CC[C@H]1CN(C(C)=O)CC[C@@H]1[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000089948922 454243692 /nfs/dbraw/zinc/24/36/92/454243692.db2.gz ZWSQGMGZJLAYJT-FPOVZHCZSA-N 1 0 343.515 3.414 10 10 EGCERO CC[C@@H]1CN(C(C)=O)CC[C@H]1[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000089948923 454244185 /nfs/dbraw/zinc/24/41/85/454244185.db2.gz ZWSQGMGZJLAYJT-TZIWHRDSSA-N 1 0 343.515 3.414 10 10 EGCERO COc1cccc(C[N@@H+]2CCC[C@@H](C(=O)Nc3ccccc3)C2)c1O ZINC000122878219 454577654 /nfs/dbraw/zinc/57/76/54/454577654.db2.gz YNWISGHNDRKVKP-MRXNPFEDSA-N 1 0 340.423 3.252 10 10 EGCERO CC[C@@H]([NH2+][C@@H]1CCCN(c2ncccn2)C1)c1ccc(N(C)C)cc1 ZINC000178193000 454942749 /nfs/dbraw/zinc/94/27/49/454942749.db2.gz NPDSPNASXPEENB-IEBWSBKVSA-N 1 0 339.487 3.252 10 10 EGCERO C[C@@H]([NH2+]CC(=O)N(C)Cc1ccc(N(C)C)cc1)c1cccs1 ZINC000171111651 455032051 /nfs/dbraw/zinc/03/20/51/455032051.db2.gz KOPZRWXFSRRBOD-CQSZACIVSA-N 1 0 331.485 3.123 10 10 EGCERO Cc1ccc(C(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)c(O)c1O ZINC000182350850 455494717 /nfs/dbraw/zinc/49/47/17/455494717.db2.gz BKCHDQNGGYFDSE-INIZCTEOSA-N 1 0 346.471 3.134 10 10 EGCERO CCN(C)c1ccc([C@H](C)[NH2+][C@H]2CCCN(c3cccnn3)C2)cc1 ZINC000246494435 455501061 /nfs/dbraw/zinc/50/10/61/455501061.db2.gz SFVFMEXBOHQMDY-WMZOPIPTSA-N 1 0 339.487 3.252 10 10 EGCERO C[C@H]([NH2+][C@H]1CCCC[C@@H]1CO)c1cc(Br)ccc1O ZINC000185506773 455569822 /nfs/dbraw/zinc/56/98/22/455569822.db2.gz BGXFZSRBFDDCNB-WDMOLILDSA-N 1 0 328.250 3.356 10 10 EGCERO CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)ccc2O)C12CCOCC2 ZINC000185662869 455591624 /nfs/dbraw/zinc/59/16/24/455591624.db2.gz DKUXZHJTSHWNKA-HZPDHXFCSA-N 1 0 325.836 3.109 10 10 EGCERO Cc1cc(Cl)cc(C[NH2+][C@@H]2CCN(Cc3ccccc3)C2=O)c1O ZINC000271889072 455798581 /nfs/dbraw/zinc/79/85/81/455798581.db2.gz RLCYBZUYSMQZCR-QGZVFWFLSA-N 1 0 344.842 3.245 10 10 EGCERO COc1ccc(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2O)cc1 ZINC000378374327 457393043 /nfs/dbraw/zinc/39/30/43/457393043.db2.gz FOQOCZQUEBNPEM-KRWDZBQOSA-N 1 0 326.396 3.004 10 10 EGCERO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@@H]2CC23CC3)C1 ZINC000424977654 457393732 /nfs/dbraw/zinc/39/37/32/457393732.db2.gz WKYUSJITHBAUFA-LJQANCHMSA-N 1 0 337.467 3.077 10 10 EGCERO C[C@@H]1C[N@H+](Cc2cc(Cl)ccc2O)C[C@@]2(CCO[C@H](C)C2)O1 ZINC000366790792 457899985 /nfs/dbraw/zinc/89/99/85/457899985.db2.gz BFGNNARNFBOMLC-XNJGSVPQSA-N 1 0 325.836 3.204 10 10 EGCERO COc1c(O)c(C[NH2+][C@@H]2CCCc3nc(C)sc32)ccc1[N+](=O)[O-] ZINC000373209924 458431182 /nfs/dbraw/zinc/43/11/82/458431182.db2.gz XWYFQQBESXWDKD-LLVKDONJSA-N 1 0 349.412 3.241 10 10 EGCERO Cc1cc(Cl)cc(C[NH+]2CCC(Oc3cnccn3)CC2)c1O ZINC000373264908 458447126 /nfs/dbraw/zinc/44/71/26/458447126.db2.gz RTSCPFXQBDXXIC-UHFFFAOYSA-N 1 0 333.819 3.187 10 10 EGCERO Cc1cc(Cl)cc(C[N@@H+]2CC[C@@]3(C2)C(=O)Nc2ccccc23)c1O ZINC000373536987 458523961 /nfs/dbraw/zinc/52/39/61/458523961.db2.gz YTKWTBVNXFGXBQ-IBGZPJMESA-N 1 0 342.826 3.450 10 10 EGCERO COc1ccc(CN2CC[C@H]2C[NH2+]Cc2cc(C)ccc2O)cc1 ZINC000527775823 459733244 /nfs/dbraw/zinc/73/32/44/459733244.db2.gz VQKVDJFGJDYXDN-SFHVURJKSA-N 1 0 326.440 3.073 10 10 EGCERO COc1ccc(O)c([C@H](C)[NH2+]C[C@]2(C)COc3ccccc3O2)c1 ZINC000527926912 459774578 /nfs/dbraw/zinc/77/45/78/459774578.db2.gz ADFSXPDARWQCSS-ORAYPTAESA-N 1 0 329.396 3.282 10 10 EGCERO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NCC(C)(C)F)C1 ZINC000633721951 461219434 /nfs/dbraw/zinc/21/94/34/461219434.db2.gz NUHCUVPFXZDMOA-UHFFFAOYSA-N 1 0 345.462 3.272 10 10 EGCERO Cc1cc(CCNC(=O)CCCC[NH+](C)C)c(C)n1-c1ccccc1 ZINC000741210619 576666844 /nfs/dbraw/zinc/66/68/44/576666844.db2.gz BFDCGJREHUCKPV-UHFFFAOYSA-N 1 0 341.499 3.485 10 10 EGCERO C[C@@H]1C[N@H+](Cc2cc3c(cc2O)CCC3)CCN1C(=O)OC(C)(C)C ZINC000742157913 576753207 /nfs/dbraw/zinc/75/32/07/576753207.db2.gz AISDKRRJNSDPQJ-CQSZACIVSA-N 1 0 346.471 3.322 10 10 EGCERO CN(C)c1ccc(C[N@@H+]2CCC[C@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000154880526 1294075084 /nfs/dbraw/zinc/07/50/84/1294075084.db2.gz QMWIPPVISLMCLN-INIZCTEOSA-N 1 0 333.476 3.242 10 10 EGCERO CN(C)[C@H]1CC[N@H+](Cc2c(O)ccc3cc(Br)ccc32)C1 ZINC000170843148 1294383831 /nfs/dbraw/zinc/38/38/31/1294383831.db2.gz RNHSIBIYKUEQPM-AWEZNQCLSA-N 1 0 349.272 3.444 10 10 EGCERO C[N@@H+]1CCC[C@@H](c2cccc(C(=O)N3Cc4cccc(O)c4C3)c2)C1 ZINC000871205588 1296272770 /nfs/dbraw/zinc/27/27/70/1296272770.db2.gz HRSAFJGDHWCFHZ-QGZVFWFLSA-N 1 0 336.435 3.357 10 10 EGCERO COc1ccc(N2CCC([NH2+]C[C@@H]3C[C@H]4CCC[C@H]4O3)CC2)cc1 ZINC000872108976 1296735023 /nfs/dbraw/zinc/73/50/23/1296735023.db2.gz FTJWGPYMEKAWMC-UIAACRFSSA-N 1 0 330.472 3.211 10 10 EGCERO C[C@H]1C[C@@H]([NH2+]Cc2cccc(O)c2O)CCN1Cc1ccccc1 ZINC000379636852 1297536223 /nfs/dbraw/zinc/53/62/23/1297536223.db2.gz XXDUHRNFWYANHZ-YJBOKZPZSA-N 1 0 326.440 3.241 10 10 EGCERO CC[N@H+](CCC[NH+](C)C)Cc1cc(Br)cc(F)c1[O-] ZINC000715739965 1298285610 /nfs/dbraw/zinc/28/56/10/1298285610.db2.gz YBUYFTNQGQAHGF-UHFFFAOYSA-N 1 0 333.245 3.067 10 10 EGCERO CCOc1cccc(C[NH2+]CC[C@H]2CCC3(CCOCC3)CO2)c1O ZINC000886300821 1303427878 /nfs/dbraw/zinc/42/78/78/1303427878.db2.gz QBJLNXYYXUQAST-QGZVFWFLSA-N 1 0 349.471 3.246 10 10 EGCERO C[C@H](CC(F)(F)F)C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891247384 1304999624 /nfs/dbraw/zinc/99/96/24/1304999624.db2.gz JTCVQCQQJYSCOM-IUODEOHRSA-N 1 0 345.409 3.060 10 10 EGCERO COc1cc(C)cc(C[NH2+][C@H](C)c2ccc(-n3cncn3)cc2)c1O ZINC000894158438 1306251834 /nfs/dbraw/zinc/25/18/34/1306251834.db2.gz QCMGBWZWCWGCBW-CQSZACIVSA-N 1 0 338.411 3.141 10 10 EGCERO COC(=O)c1c(C[NH2+]C2C[C@@H](C)O[C@H](C)C2)c2cc(F)ccc2n1C ZINC000894368748 1306363660 /nfs/dbraw/zinc/36/36/60/1306363660.db2.gz TVIUYTCZAWDFOD-VXGBXAGGSA-N 1 0 348.418 3.150 10 10 EGCERO COc1cc(C)cc(C[N@@H+]2CCC[C@](CO)(c3ccccc3)C2)c1O ZINC000894676942 1309018180 /nfs/dbraw/zinc/01/81/80/1309018180.db2.gz VOTTYFOLHPSEPW-NRFANRHFSA-N 1 0 341.451 3.235 10 10 EGCERO COC(=O)c1cnc(C[NH2+][C@H](C)Cc2ccc(N(C)C)cc2C)s1 ZINC000895015816 1309158258 /nfs/dbraw/zinc/15/82/58/1309158258.db2.gz ZFARZPCYBJUNMU-CYBMUJFWSA-N 1 0 347.484 3.025 10 10 EGCERO O=C(NC1CC([NH+]2CCCCC2)C1)c1cc2cc(O)c(O)cc2s1 ZINC000897627466 1310415006 /nfs/dbraw/zinc/41/50/06/1310415006.db2.gz ZIQLBQRNGPMRGS-UHFFFAOYSA-N 1 0 346.452 3.059 10 10 EGCERO Oc1cccc(Br)c1C[NH2+]CCCC1CCOCC1 ZINC000858169925 1328702760 /nfs/dbraw/zinc/70/27/60/1328702760.db2.gz FDHFYBIJJPNIIP-UHFFFAOYSA-N 1 0 328.250 3.451 10 10 EGCERO C[C@H]([NH2+]CC[C@@H]1CCCOC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000858446267 1328764082 /nfs/dbraw/zinc/76/40/82/1328764082.db2.gz WHKBHULYTBNRQY-HOTGVXAUSA-N 1 0 336.451 3.130 10 10 EGCERO C[C@H]([NH2+]CC[C@H]1CCCOC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000858446269 1328764859 /nfs/dbraw/zinc/76/48/59/1328764859.db2.gz WHKBHULYTBNRQY-JKSUJKDBSA-N 1 0 336.451 3.130 10 10 EGCERO C[C@H]([NH2+]C[C@@H](O)[C@H]1CCCO1)c1ccc(N2CCCCC2)c(F)c1 ZINC000858468623 1328769656 /nfs/dbraw/zinc/76/96/56/1328769656.db2.gz KFOARMRWJGNXDA-GDIGMMSISA-N 1 0 336.451 3.007 10 10 EGCERO COc1cc(Br)cc([C@@H](C)[NH2+]C[C@H]2C[C@@H](OC)C2)c1O ZINC000858592505 1328803923 /nfs/dbraw/zinc/80/39/23/1328803923.db2.gz DNQBSNDSLRZCNJ-FOGDFJRCSA-N 1 0 344.249 3.239 10 10 EGCERO CC[NH+](CC)[C@@H](CNC(=O)NCc1c(O)cccc1F)c1ccco1 ZINC000915077715 1319418218 /nfs/dbraw/zinc/41/82/18/1319418218.db2.gz BXYRGPCYPFFPEO-HNNXBMFYSA-N 1 0 349.406 3.007 10 10 EGCERO c1cncc([C@@H]2CCC[N@@H+](Cc3ccc(N4CCOCC4)cc3)C2)c1 ZINC000930808997 1328976881 /nfs/dbraw/zinc/97/68/81/1328976881.db2.gz KRARAYNXBZBODZ-HXUWFJFHSA-N 1 0 337.467 3.298 10 10 EGCERO CC1([NH+]2CCCC2)CCC(NC(=O)N2Cc3cccc(O)c3C2)CC1 ZINC000925054621 1323259240 /nfs/dbraw/zinc/25/92/40/1323259240.db2.gz HTIUMCVRHPXXSI-UHFFFAOYSA-N 1 0 343.471 3.215 10 10 EGCERO C[C@@H]([NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccnnc1 ZINC000925158653 1325069043 /nfs/dbraw/zinc/06/90/43/1325069043.db2.gz DCKIYGHKYCKTOF-HIFRSBDPSA-N 1 0 348.397 3.398 10 10 EGCERO C[C@H](NCc1cc(N)cc[nH+]1)c1ccc(N2CCOCC2)cc1Cl ZINC000925771950 1325293855 /nfs/dbraw/zinc/29/38/55/1325293855.db2.gz PISWISCIQSDNBN-ZDUSSCGKSA-N 1 0 346.862 3.005 10 10 EGCERO C[C@H]([NH2+]C[C@@H]1C[NH2+]CCC1(F)F)c1cccc(C(F)(F)F)c1[O-] ZINC000925775284 1325295419 /nfs/dbraw/zinc/29/54/19/1325295419.db2.gz FKODTZAIMSVBDU-UWVGGRQHSA-N 1 0 338.320 3.306 10 10 EGCERO C[C@@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)c1cc(Br)cc(F)c1[O-] ZINC000925796001 1325306135 /nfs/dbraw/zinc/30/61/35/1325306135.db2.gz JKUVXQZMISVDGI-GMTAPVOTSA-N 1 0 345.256 3.190 10 10 EGCERO CC[C@H](C[C@](C)(O)CC)[NH2+]C[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000926611118 1327634914 /nfs/dbraw/zinc/63/49/14/1327634914.db2.gz IFOAWRUDSKKGOW-MBOZVWFJSA-N 1 0 334.504 3.441 10 10 EGCERO COc1ccc(N2CC[C@H]([NH2+][C@H](C)c3cn4c(n3)CCCC4)C2)cc1 ZINC000926680597 1327664193 /nfs/dbraw/zinc/66/41/93/1327664193.db2.gz PTXYQZDFGIITPF-CVEARBPZSA-N 1 0 340.471 3.158 10 10 EGCERO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)c1 ZINC000926989008 1327809558 /nfs/dbraw/zinc/80/95/58/1327809558.db2.gz QPMFTPZCCVQWPO-QSPRXWTASA-N 1 0 346.471 3.464 10 10 EGCERO CCC[C@@H](O)CC[NH2+][C@H](C)c1cc(Br)cc(OC)c1O ZINC000927025905 1327824426 /nfs/dbraw/zinc/82/44/26/1327824426.db2.gz YXEFSJSYCXXHRR-ZYHUDNBSSA-N 1 0 346.265 3.365 10 10 EGCERO Oc1cccc(Br)c1C[N@@H+]1CCC[C@@H]2COCC[C@H]21 ZINC000862252983 1329471870 /nfs/dbraw/zinc/47/18/70/1329471870.db2.gz YZKLRMJVCKOWIA-BXUZGUMPSA-N 1 0 326.234 3.156 10 10 EGCERO COc1ccc(N2CCC([NH2+]Cc3ccnc(F)c3C)CC2)cc1 ZINC000862274074 1329473069 /nfs/dbraw/zinc/47/30/69/1329473069.db2.gz DLJGQQOBPXDVDX-UHFFFAOYSA-N 1 0 329.419 3.296 10 10 EGCERO COc1ccc(C[NH2+]Cc2ccc(OC)c(OC3CC3)c2)c(O)c1 ZINC000862352636 1329476920 /nfs/dbraw/zinc/47/69/20/1329476920.db2.gz GTWYKZISMZEJTE-UHFFFAOYSA-N 1 0 329.396 3.240 10 10 EGCERO COc1c(O)c(C[NH2+][C@@H](c2ccccn2)C2CCC2)ccc1[N+](=O)[O-] ZINC000862478285 1329489526 /nfs/dbraw/zinc/48/95/26/1329489526.db2.gz URMIFHIPYQSLTC-MRXNPFEDSA-N 1 0 343.383 3.335 10 10 EGCERO CC1CCN(c2ccc(C[NH2+]Cc3cnc4c(cnn4C)c3)cc2)CC1 ZINC000865455860 1329699695 /nfs/dbraw/zinc/69/96/95/1329699695.db2.gz HBHNGAGPFITRSK-UHFFFAOYSA-N 1 0 349.482 3.494 10 10 EGCERO C[NH+]1CCC(n2cc(NCc3c(O)ccc(Cl)c3F)cn2)CC1 ZINC000865702449 1329730751 /nfs/dbraw/zinc/73/07/51/1329730751.db2.gz CIDYPBMJGXVFHG-UHFFFAOYSA-N 1 0 338.814 3.260 10 10 EGCERO COc1cccc([C@H](C)[NH2+]Cc2ccc(C3(C)OCCO3)cc2)c1O ZINC000866423476 1330109876 /nfs/dbraw/zinc/10/98/76/1330109876.db2.gz TVYDOEBHWSMQMC-AWEZNQCLSA-N 1 0 343.423 3.471 10 10 EGCERO C[C@H]([NH2+]CCOCC(=O)OC(C)(C)C)c1ccc(Cl)cc1O ZINC000866437764 1330112641 /nfs/dbraw/zinc/11/26/41/1330112641.db2.gz NYIOZIBQKLSCOR-NSHDSACASA-N 1 0 329.824 3.055 10 10 EGCERO C[C@@H](NC(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1)c1ccc(N(C)C)cc1 ZINC000868181949 1330259329 /nfs/dbraw/zinc/25/93/29/1330259329.db2.gz MQTDYFODAVIBKN-ZNZDAUKMSA-N 1 0 338.455 3.450 10 10 EGCERO [NH3+][C@@H]1C[C@H]1c1ccc(NC(=O)NCCCSc2nccs2)cc1 ZINC000868183725 1330259553 /nfs/dbraw/zinc/25/95/53/1330259553.db2.gz RRPPEZBXXLQANI-UONOGXRCSA-N 1 0 348.497 3.262 10 10 EGCERO C[NH2+]C1(CNc2ccc([N+](=O)[O-])cc2C(=O)c2ccccc2)CCC1 ZINC001186479130 1387951498 /nfs/dbraw/zinc/95/14/98/1387951498.db2.gz NBAMYXVKQDDANR-UHFFFAOYSA-N 1 0 339.395 3.380 10 10 EGCERO c1cc(C[NH2+]CCc2ccc3c(c2)OCCCO3)cc2c1OCC2 ZINC001203706359 1370229083 /nfs/dbraw/zinc/22/90/83/1370229083.db2.gz IBLSEVCKSSIFQC-UHFFFAOYSA-N 1 0 325.408 3.115 10 10 EGCERO Cc1cc(CC(=O)N2CC[N@@H+](C)C(C)(C)C2)c(C)n1-c1ccccc1 ZINC001132989032 1375696623 /nfs/dbraw/zinc/69/66/23/1375696623.db2.gz WLUMTIWTMZTEKJ-UHFFFAOYSA-N 1 0 339.483 3.189 10 10 EGCERO CC(C)C[NH+]1CCC(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)CC1 ZINC001138364210 1377710026 /nfs/dbraw/zinc/71/00/26/1377710026.db2.gz UXMBLHXZFUIHAN-INIZCTEOSA-N 1 0 331.504 3.298 10 10 EGCERO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001142419072 1378440969 /nfs/dbraw/zinc/44/09/69/1378440969.db2.gz MMGDKFVFTHWTMR-YTQUADARSA-N 1 0 345.531 3.229 10 10 EGCERO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001142419069 1378441713 /nfs/dbraw/zinc/44/17/13/1378441713.db2.gz MMGDKFVFTHWTMR-QXAKKESOSA-N 1 0 345.531 3.229 10 10 EGCERO O=C(C=Cc1ccc(O)c(O)c1)Nc1ccc(Nc2cc[nH+]cc2)cc1 ZINC001144595564 1378749495 /nfs/dbraw/zinc/74/94/95/1378749495.db2.gz HWSOXIDYOREKFG-KRXBUXKQSA-N 1 0 347.374 3.310 10 10 EGCERO COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)C[C@H](C)SC)cc1C ZINC001283596805 1379042933 /nfs/dbraw/zinc/04/29/33/1379042933.db2.gz ACXKRSLHWZRSNN-CABCVRRESA-N 1 0 338.517 3.082 10 10 EGCERO CC1CCC([N@H+](CC(=O)NCc2ccc(N(C)C)cc2)C2CC2)CC1 ZINC001167070756 1383532704 /nfs/dbraw/zinc/53/27/04/1383532704.db2.gz IPYQCDWLDAWROY-UHFFFAOYSA-N 1 0 343.515 3.412 10 10 EGCERO CCC[N@H+](CC)Cc1ccc(C(=O)NCc2c(O)cccc2O)cc1 ZINC001304049671 1383825367 /nfs/dbraw/zinc/82/53/67/1383825367.db2.gz COKIVYNNJIOLGR-UHFFFAOYSA-N 1 0 342.439 3.260 10 10 EGCERO COc1ccc(C[NH2+][C@H](C)CNC(=O)[C@@H]2CC23CCCC3)cc1C ZINC001317275168 1385044314 /nfs/dbraw/zinc/04/43/14/1385044314.db2.gz IODZFKJMLITQAS-WBVHZDCISA-N 1 0 330.472 3.178 10 10 EGCERO CCN(CC[NH2+]Cc1ccc(OC)c(C)c1)C(=O)c1coc(C)c1 ZINC001320721710 1386701612 /nfs/dbraw/zinc/70/16/12/1386701612.db2.gz FQRBGLKFINNEMN-UHFFFAOYSA-N 1 0 330.428 3.157 10 10 EGCERO COc1ccc(C[NH2+]CCCN(C)C(=O)c2ccccc2)cc1C ZINC001322393108 1387178203 /nfs/dbraw/zinc/17/82/03/1387178203.db2.gz KXADQKAYJIGFLI-UHFFFAOYSA-N 1 0 326.440 3.256 10 10 EGCERO Fc1cc(C[NH2+][C@@H]2CC[C@H]3[C@@H](C2)C3(F)F)ccc1N1CCOCC1 ZINC001333846069 1390421305 /nfs/dbraw/zinc/42/13/05/1390421305.db2.gz HQOVBBRFHZIZRI-QLFBSQMISA-N 1 0 340.389 3.186 10 10 EGCERO Brc1cnc(C[NH2+]Cc2ccc(N3CCCC3)cc2)cn1 ZINC001334375394 1390527028 /nfs/dbraw/zinc/52/70/28/1390527028.db2.gz OVLYLMFVFMFUFK-UHFFFAOYSA-N 1 0 347.260 3.129 10 10 EGCERO Cn1ncc(C(F)(F)F)c1C[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001351316566 1391625755 /nfs/dbraw/zinc/62/57/55/1391625755.db2.gz YRFBMYUAFNQDCZ-UHFFFAOYSA-N 1 0 338.377 3.329 10 10 EGCERO CC(C)CN(C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C)C(C)C ZINC001479534217 1392272536 /nfs/dbraw/zinc/27/25/36/1392272536.db2.gz JVGBHLPMIHLBAZ-LJQANCHMSA-N 1 0 348.535 3.431 10 10 EGCERO COc1ccc(C[NH2+][C@H](C)CCNC(=O)c2coc(C)c2)cc1C ZINC001480759055 1392917568 /nfs/dbraw/zinc/91/75/68/1392917568.db2.gz NFEXMQLMFYBWNE-CQSZACIVSA-N 1 0 330.428 3.203 10 10 EGCERO COc1ccc(C[NH2+][C@H](C)CCNC(=O)c2[nH]c(C)cc2C)cc1C ZINC001690849587 1404775908 /nfs/dbraw/zinc/77/59/08/1404775908.db2.gz GQBOMXYXHQRNAT-OAHLLOKOSA-N 1 0 343.471 3.247 10 10 EGCERO COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)c2cc(C)co2)cc1C ZINC001725503518 1426184974 /nfs/dbraw/zinc/18/49/74/1426184974.db2.gz KEKPBFOWQBSTNX-OAHLLOKOSA-N 1 0 330.428 3.155 10 10 EGCERO COc1ccc(C[NH2+]CCN(C)C(=O)c2cc(F)ccc2C)cc1C ZINC001691415782 1405253585 /nfs/dbraw/zinc/25/35/85/1405253585.db2.gz VKTSJDQFDJLKJO-UHFFFAOYSA-N 1 0 344.430 3.313 10 10 EGCERO CC(C)C[C@H](C)C[NH2+]CCN(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001691631272 1405368220 /nfs/dbraw/zinc/36/82/20/1405368220.db2.gz XAGVEWXPEKYXFH-AWEZNQCLSA-N 1 0 347.463 3.193 10 10 EGCERO CC[C@H](CNC(=O)c1coc(C)c1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001698601064 1406226988 /nfs/dbraw/zinc/22/69/88/1406226988.db2.gz ZHHOGFAFNVTUNH-QGZVFWFLSA-N 1 0 330.428 3.203 10 10 EGCERO COc1ccc(C[NH2+]C[C@@H](C)CNC(=O)Cc2ccccc2)cc1C ZINC001732350864 1428544671 /nfs/dbraw/zinc/54/46/71/1428544671.db2.gz RPRKAATWSKODMY-MRXNPFEDSA-N 1 0 340.467 3.088 10 10 EGCERO COc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)[C@]23C[C@H]2CCC3)cc1C ZINC001732429122 1428577294 /nfs/dbraw/zinc/57/72/94/1428577294.db2.gz DVUJJNNNPGDNKJ-XAUMDUMWSA-N 1 0 330.472 3.130 10 10 EGCERO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)CCc2cccs2)cc1C ZINC001699390523 1412705329 /nfs/dbraw/zinc/70/53/29/1412705329.db2.gz USZHKPQWBIWSHH-OAHLLOKOSA-N 1 0 346.496 3.292 10 10 EGCERO COc1ccc(C[NH2+]C[C@H]2CC[C@H](NC(=O)C=C(C)C)C2)cc1C ZINC001700888070 1414546864 /nfs/dbraw/zinc/54/68/64/1414546864.db2.gz WYWOBQSKJOAUGN-ROUUACIJSA-N 1 0 330.472 3.344 10 10 EGCERO COc1ccc(C[NH2+]C[C@H]2CCC[C@H]2NC(=O)CCCF)cc1C ZINC001732620140 1428882191 /nfs/dbraw/zinc/88/21/91/1428882191.db2.gz LWIDVOIBUDPQPL-IAGOWNOFSA-N 1 0 336.451 3.128 10 10 EGCERO COc1ccc(C[NH2+][C@H]2C[C@H](CNC(=O)C(C)(C)C3CC3)C2)cc1C ZINC001707085951 1417192898 /nfs/dbraw/zinc/19/28/98/1417192898.db2.gz CSLVURDKQFEQAY-SAABIXHNSA-N 1 0 344.499 3.424 10 10 EGCERO CC[C@H](CNC(=O)c1cc(Cl)c[nH]1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001714056016 1418853908 /nfs/dbraw/zinc/85/39/08/1418853908.db2.gz JVFKSQJYIZXIPI-OAHLLOKOSA-N 1 0 349.862 3.283 10 10 EGCERO COc1ccc(C[NH2+]CC[C@H]2CCCN(C(=O)[C@@H]3C[C@H]3C)C2)cc1C ZINC001715147324 1419892846 /nfs/dbraw/zinc/89/28/46/1419892846.db2.gz DMWOWHNFJOTOSC-SZVBFZGTSA-N 1 0 344.499 3.378 10 10 EGCERO COc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)C2(F)CCCC2)cc1C ZINC001715337919 1420041675 /nfs/dbraw/zinc/04/16/75/1420041675.db2.gz JFBPMTNOEVPJDB-OAHLLOKOSA-N 1 0 336.451 3.222 10 10 EGCERO COc1ccc(C[NH2+]CC[C@@H](C)NC(=O)/C=C/c2ccco2)cc1C ZINC001715617842 1420266494 /nfs/dbraw/zinc/26/64/94/1420266494.db2.gz GGOGOYPWXXUCBO-MNDMWVCDSA-N 1 0 342.439 3.294 10 10 EGCERO CCN(CC[NH2+]Cc1ccc(OC)c(C)c1)C(=O)[C@H](C)n1cccc1 ZINC001715724472 1420312101 /nfs/dbraw/zinc/31/21/01/1420312101.db2.gz BGGONIBHLUDYNK-KRWDZBQOSA-N 1 0 343.471 3.004 10 10 EGCERO CC[C@@H]1C[C@H]1C(=O)N1CC[C@@H](CC[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001717099974 1421110002 /nfs/dbraw/zinc/11/00/02/1421110002.db2.gz IKBMKXUMFIXLFC-BHIYHBOVSA-N 1 0 344.499 3.378 10 10 EGCERO COc1ccc(C[NH2+]CC2CC(NC(=O)CCC(F)F)C2)cc1C ZINC001717389020 1421327399 /nfs/dbraw/zinc/32/73/99/1421327399.db2.gz XYTDCQFKPZJKGO-UHFFFAOYSA-N 1 0 340.414 3.033 10 10 EGCERO COc1ccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)c2cccnc2C)cc1C ZINC001725106969 1425557911 /nfs/dbraw/zinc/55/79/11/1425557911.db2.gz BGYQCDZGTQJSMG-HUUCEWRRSA-N 1 0 341.455 3.004 10 10 EGCERO COc1ccc(C[NH2+]C[C@H](NC(=O)C2(C)CC2)C(C)(C)C)cc1C ZINC001725737275 1426411880 /nfs/dbraw/zinc/41/18/80/1426411880.db2.gz DFRPUJHGDDAIKL-KRWDZBQOSA-N 1 0 332.488 3.424 10 10 EGCERO C[N@H+](CCCNC(=O)c1ccc(N=NC(N)=O)cc1)CC1CCCC1 ZINC001731285451 1427229114 /nfs/dbraw/zinc/22/91/14/1427229114.db2.gz BRNNSFUIFRUXSF-UHFFFAOYSA-N 1 0 345.447 3.091 10 10 EGCERO CC[C@@H](C)[C@H](C)C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001731455375 1427431428 /nfs/dbraw/zinc/43/14/28/1427431428.db2.gz POOJRDSQHBQWIB-AETAKHFUSA-N 1 0 332.488 3.423 10 10 EGCERO COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)[C@H]2CC=CCC2)cc1C ZINC001734312678 1438043084 /nfs/dbraw/zinc/04/30/84/1438043084.db2.gz GCYLYSPMALQDKR-WMZOPIPTSA-N 1 0 330.472 3.296 10 10 EGCERO CN(C)c1ccc([C@H](CNC(=O)c2cccc(Cl)c2)[NH+](C)C)cc1 ZINC000005097752 210389571 /nfs/dbraw/zinc/38/95/71/210389571.db2.gz QKRXDVYJZMDPQW-SFHVURJKSA-N 1 0 345.874 3.439 10 10 EGCERO CC1(C[NH2+]Cc2ccc(OCc3ccccc3)cc2O)OCCCO1 ZINC000190839781 455389685 /nfs/dbraw/zinc/38/96/85/455389685.db2.gz BBBDCOULYKHBQF-UHFFFAOYSA-N 1 0 343.423 3.214 10 10 EGCERO Cc1nc(C)n(C[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)n1 ZINC000121952675 454498702 /nfs/dbraw/zinc/49/87/02/454498702.db2.gz LHIJLGJIVJVTJP-CQSZACIVSA-N 1 0 334.851 3.166 10 10 EGCERO COc1cc(OC)cc([C@@H]2CC[N@H+](Cc3cccc(OC)c3O)C2)c1 ZINC000093838054 454738289 /nfs/dbraw/zinc/73/82/89/454738289.db2.gz CICKLJTZYYSNEX-CQSZACIVSA-N 1 0 343.423 3.408 10 10 EGCERO Cc1ccc(O)c(C[NH+]2CCC(NC(=O)c3ccccc3C)CC2)c1 ZINC000153291088 454779616 /nfs/dbraw/zinc/77/96/16/454779616.db2.gz YBUMPUBFDLPAAG-UHFFFAOYSA-N 1 0 338.451 3.403 10 10 EGCERO C[C@@H](Cn1cncn1)[NH2+][C@@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000164178348 454876621 /nfs/dbraw/zinc/87/66/21/454876621.db2.gz QKNSRFSRGHYRPL-IRXDYDNUSA-N 1 0 327.476 3.398 10 10 EGCERO C[C@@H]([NH2+][C@@H]1CCCN(c2ncccn2)C1)c1cc(Cl)ccc1O ZINC000185060766 455494072 /nfs/dbraw/zinc/49/40/72/455494072.db2.gz NJNNJYDDPXLIMG-TZMCWYRMSA-N 1 0 332.835 3.155 10 10 EGCERO COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCN(C(=O)C3CCCCC3)C2)c1 ZINC000185762949 455617379 /nfs/dbraw/zinc/61/73/79/455617379.db2.gz KRVDSNMIRINWDT-GDBMZVCRSA-N 1 0 346.471 3.233 10 10 EGCERO C[C@H]([NH2+][C@H](CO)C[C@H](O)C(C)(C)C)c1cc2c(cc1O)CCCC2 ZINC000284290366 455663085 /nfs/dbraw/zinc/66/30/85/455663085.db2.gz KFRIJFLQVVGFLJ-AXHNFQJDSA-N 1 0 335.488 3.080 10 10 EGCERO CCO[C@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)CCCN3C)C12CCOCC2 ZINC000186298016 455737441 /nfs/dbraw/zinc/73/74/41/455737441.db2.gz URWLIYHBIWBSDP-UXHICEINSA-N 1 0 344.499 3.133 10 10 EGCERO Cc1nocc1C[NH2+]Cc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000293733948 455795443 /nfs/dbraw/zinc/79/54/43/455795443.db2.gz ZMXUPBWJLJFYIB-STQMWFEESA-N 1 0 333.407 3.026 10 10 EGCERO Cc1cc(N2CCC[C@H]([NH2+][C@H](C)c3c(C)cc(C)cc3O)C2)n(C)n1 ZINC000285279140 455817173 /nfs/dbraw/zinc/81/71/73/455817173.db2.gz REKGFWUWVIBCSG-SJORKVTESA-N 1 0 342.487 3.371 10 10 EGCERO C[C@H]([NH2+][C@@H]1C[C@H]2OCCC[C@H]12)c1ccc(Br)cc1O ZINC000187300045 455893435 /nfs/dbraw/zinc/89/34/35/455893435.db2.gz NUTVJSMJNMXEHY-XRFFLINXSA-N 1 0 326.234 3.373 10 10 EGCERO CCCN(c1ccc(C[NH3+])cc1)C1CCN(CC(F)(F)F)CC1 ZINC000194981200 455909884 /nfs/dbraw/zinc/90/98/84/455909884.db2.gz GGUFUSYWKJSFGL-UHFFFAOYSA-N 1 0 329.410 3.388 10 10 EGCERO CC(=O)NC1CCC([NH2+][C@H](C)c2cc3c(cc2O)CCCC3)CC1 ZINC000273579406 456238401 /nfs/dbraw/zinc/23/84/01/456238401.db2.gz MGOZQITYTYJDSI-NLNFPOJYSA-N 1 0 330.472 3.369 10 10 EGCERO CCSCC[NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000273693828 456243434 /nfs/dbraw/zinc/24/34/34/456243434.db2.gz IMARONMHFLJYNV-UHFFFAOYSA-N 1 0 348.434 3.385 10 10 EGCERO COC(=O)c1cnc(S[C@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000298315377 456422772 /nfs/dbraw/zinc/42/27/72/456422772.db2.gz RCJVBAILBBGNHW-ZDUSSCGKSA-N 1 0 334.466 3.296 10 10 EGCERO Cc1cc(Cl)cc(C[NH2+]C[C@@H]2CCC3(CCOCC3)[C@H]2O)c1O ZINC000283115608 456713373 /nfs/dbraw/zinc/71/33/73/456713373.db2.gz UVCKIVGBQXCXIM-GUYCJALGSA-N 1 0 339.863 3.011 10 10 EGCERO CCOc1ccc(O)c(C[NH2+]Cc2ccccc2-c2cnn(C)c2)c1 ZINC000362673240 457037730 /nfs/dbraw/zinc/03/77/30/457037730.db2.gz AMTXLHJYDJUAMH-UHFFFAOYSA-N 1 0 337.423 3.481 10 10 EGCERO Cc1cc(Cl)cc(C[N@H+]2C[C@@H](C)O[C@@]3(CCCOC3)C2)c1O ZINC000373634855 458560002 /nfs/dbraw/zinc/56/00/02/458560002.db2.gz GEFSISIJAOKJIM-DYVFJYSZSA-N 1 0 325.836 3.124 10 10 EGCERO Oc1cc(OCc2ccccc2)ccc1CN[C@@H]1CC[NH2+]C12CCC2 ZINC000530178856 458709145 /nfs/dbraw/zinc/70/91/45/458709145.db2.gz RTWQWVMVCIEWAE-HXUWFJFHSA-N 1 0 338.451 3.345 10 10 EGCERO Cc1cc(C)c(C(=O)NC2CC[NH+](Cc3cc(C)ccc3O)CC2)o1 ZINC000527588814 459665355 /nfs/dbraw/zinc/66/53/55/459665355.db2.gz UBLOAPVGSUIAQH-UHFFFAOYSA-N 1 0 342.439 3.305 10 10 EGCERO COc1cc(Br)cc(C[NH2+]CC[C@@H]2CCCOC2)c1O ZINC000527735796 459718715 /nfs/dbraw/zinc/71/87/15/459718715.db2.gz CNXZXRFVVXRAEE-NSHDSACASA-N 1 0 344.249 3.070 10 10 EGCERO Cc1cc(C(=O)N2CCC[C@H]2C[NH+](C)C)c(C)n1-c1ccc(F)cc1 ZINC000727750292 574688662 /nfs/dbraw/zinc/68/86/62/574688662.db2.gz WHYXMEMXEJODQG-SFHVURJKSA-N 1 0 343.446 3.399 10 10 EGCERO Cc1cc(C[NH2+]C2CCN(C(N)=O)CC2)c(C)n1-c1cccc(C)c1 ZINC000733332140 575328887 /nfs/dbraw/zinc/32/88/87/575328887.db2.gz OGGFNEMXNBOYFR-UHFFFAOYSA-N 1 0 340.471 3.035 10 10 EGCERO CCN(CC)c1ccc(C[NH2+]C2(CO)Cc3ccccc3C2)cc1F ZINC000740008184 576531289 /nfs/dbraw/zinc/53/12/89/576531289.db2.gz YLKNNBFNZSOAMU-UHFFFAOYSA-N 1 0 342.458 3.291 10 10 EGCERO Cc1cccc(C[N@@H+]2C[C@@H]3CC[C@@H](NC(=O)OC(C)(C)C)[C@H]3C2)c1O ZINC000248577490 1296420887 /nfs/dbraw/zinc/42/08/87/1296420887.db2.gz DVCOYBJWJTTXNX-BHYGNILZSA-N 1 0 346.471 3.436 10 10 EGCERO COc1ccc(N2CC[C@H]([NH2+][C@@H]3CCOC4(CCCC4)C3)C2)cc1 ZINC000872084929 1296725094 /nfs/dbraw/zinc/72/50/94/1296725094.db2.gz LRHLKDWAUULQQU-SJORKVTESA-N 1 0 330.472 3.355 10 10 EGCERO CCOc1ccc(O)c(C[N@@H+]2CCC[C@H](OCC(F)(F)F)C2)c1 ZINC000725846366 1298373924 /nfs/dbraw/zinc/37/39/24/1298373924.db2.gz AQUCISUTXQIYJN-AWEZNQCLSA-N 1 0 333.350 3.334 10 10 EGCERO CC(=O)c1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccccc2O)cc1 ZINC000879651312 1300651280 /nfs/dbraw/zinc/65/12/80/1300651280.db2.gz QVRUTPHVJMIWAV-STQMWFEESA-N 1 0 326.396 3.273 10 10 EGCERO C[C@@H]1C[C@@]2(CC[C@@H](C[NH2+]Cc3ccc(N4CCCCC4)cc3)O2)CO1 ZINC000886333669 1303438135 /nfs/dbraw/zinc/43/81/35/1303438135.db2.gz LYFLJERHCFCKMR-QMMLZNLJSA-N 1 0 344.499 3.493 10 10 EGCERO C[C@H](CC(F)(F)F)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891247383 1304998852 /nfs/dbraw/zinc/99/88/52/1304998852.db2.gz JTCVQCQQJYSCOM-DOMZBBRYSA-N 1 0 345.409 3.060 10 10 EGCERO COc1cc(C)cc(C[N@@H+]2CCC[C@@](CO)(c3ccccc3)C2)c1O ZINC000894676943 1309016993 /nfs/dbraw/zinc/01/69/93/1309016993.db2.gz VOTTYFOLHPSEPW-OAQYLSRUSA-N 1 0 341.451 3.235 10 10 EGCERO COc1cc(C)cc(C[NH2+]CCc2cccc(C(F)(F)F)n2)c1O ZINC000894854685 1309102409 /nfs/dbraw/zinc/10/24/09/1309102409.db2.gz JNTIGJXRVBJRAL-UHFFFAOYSA-N 1 0 340.345 3.455 10 10 EGCERO COc1cc(C)cc(C[N@@H+]2C[C@@H](c3ccccc3)[C@](F)(CO)C2)c1O ZINC000894882047 1309113022 /nfs/dbraw/zinc/11/30/22/1309113022.db2.gz UOMAVBXHCRHQJN-FXAWDEMLSA-N 1 0 345.414 3.009 10 10 EGCERO COC(=O)c1c(C[NH2+]C[C@@H]2C[C@@H](C)O[C@@H]2C)c2cc(F)ccc2n1C ZINC000894992655 1309147457 /nfs/dbraw/zinc/14/74/57/1309147457.db2.gz PHBPWXTZVHIMLA-UPJWGTAASA-N 1 0 348.418 3.007 10 10 EGCERO COC(=O)c1c(C[NH2+]C[C@@H]2CCOC2(C)C)c2cc(F)ccc2n1C ZINC000895342485 1309290861 /nfs/dbraw/zinc/29/08/61/1309290861.db2.gz INZJGHGRIJGHDE-LBPRGKRZSA-N 1 0 348.418 3.009 10 10 EGCERO COc1cc(C)cc(C[NH2+]Cc2ccc(C3(C)OCCO3)cc2)c1O ZINC000895419291 1309329741 /nfs/dbraw/zinc/32/97/41/1309329741.db2.gz VQTONQKOENCNKV-UHFFFAOYSA-N 1 0 343.423 3.219 10 10 EGCERO COc1cc(O)c(C[N@@H+]2CCCC[C@@H](C3CCOCC3)C2)cc1OC ZINC000895716120 1309484022 /nfs/dbraw/zinc/48/40/22/1309484022.db2.gz FDTBIRIHHAZWAU-MRXNPFEDSA-N 1 0 349.471 3.438 10 10 EGCERO O[C@H]1C[N@H+](Cc2ccc(N3CCCCC3)cc2)CC2(CCOCC2)C1 ZINC000895722433 1309489340 /nfs/dbraw/zinc/48/93/40/1309489340.db2.gz VOASKXSFMNZVNZ-HXUWFJFHSA-N 1 0 344.499 3.040 10 10 EGCERO CN(C)c1ccc(/C=C\C[N@@H+]2CC[C@](CO)(C(F)(F)F)C2)cc1 ZINC000895836938 1309547053 /nfs/dbraw/zinc/54/70/53/1309547053.db2.gz QHVJOUGKILDCHS-QGZUEGPWSA-N 1 0 328.378 3.013 10 10 EGCERO O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)c1cc2cc(O)c(O)cc2s1 ZINC000897576908 1310390887 /nfs/dbraw/zinc/39/08/87/1310390887.db2.gz PRSVBHLEDNMIJM-CYBMUJFWSA-N 1 0 346.452 3.059 10 10 EGCERO CCC[N@@H+](Cc1ccccc1O)C[C@H](O)CC[C@@H](O)c1ccccc1 ZINC000929753637 1328688084 /nfs/dbraw/zinc/68/80/84/1328688084.db2.gz SYOCLHUYDZEXLI-TZIWHRDSSA-N 1 0 343.467 3.479 10 10 EGCERO CC(C)n1ncc2c1C[C@H]([NH2+]Cc1cc(F)c(N(C)C)cc1F)CC2 ZINC000858159960 1328699392 /nfs/dbraw/zinc/69/93/92/1328699392.db2.gz LOLUDGXRAYLXBM-OAHLLOKOSA-N 1 0 348.441 3.455 10 10 EGCERO C[C@@H](O)[C@@H]([NH2+]Cc1c(O)cccc1Br)c1ccccc1 ZINC000858195733 1328709416 /nfs/dbraw/zinc/70/94/16/1328709416.db2.gz AQWMSZLEIHDSJM-BDJLRTHQSA-N 1 0 336.229 3.366 10 10 EGCERO CN(C)c1ccc(/C=C/C[NH2+]CC(C)(C)C(=O)N2CCCC2)cc1 ZINC000858293250 1328731159 /nfs/dbraw/zinc/73/11/59/1328731159.db2.gz SJMFJPLHGYCCJS-BQYQJAHWSA-N 1 0 329.488 3.004 10 10 EGCERO CN(C)c1ccc(C[NH2+][C@@H]2CO[C@@H](C3CC3)C2)c(C(F)(F)F)c1 ZINC000858299116 1328733051 /nfs/dbraw/zinc/73/30/51/1328733051.db2.gz PKODVNZHXAQFAI-XJKSGUPXSA-N 1 0 328.378 3.429 10 10 EGCERO COc1cccc([C@H](C)[NH2+]C[C@@H](n2cccn2)C(F)(F)F)c1O ZINC000858448831 1328765675 /nfs/dbraw/zinc/76/56/75/1328765675.db2.gz GVGSDOBUAUFNNM-GXFFZTMASA-N 1 0 329.322 3.052 10 10 EGCERO Cc1cc(C[NH2+][C@H]2CCC(=O)NC2(C)C)c(C)n1-c1ccccc1 ZINC000858543712 1328792284 /nfs/dbraw/zinc/79/22/84/1328792284.db2.gz VSBLYBYKHDQKGP-SFHVURJKSA-N 1 0 325.456 3.241 10 10 EGCERO Cc1nnsc1[C@@H](C)[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000930210489 1328812647 /nfs/dbraw/zinc/81/26/47/1328812647.db2.gz MVZZODFANOKZIL-CHWSQXEVSA-N 1 0 332.473 3.095 10 10 EGCERO COCCOc1cccc(C[NH2+]Cc2ccc3c(c2)CCCO3)c1 ZINC000921546962 1322347894 /nfs/dbraw/zinc/34/78/94/1322347894.db2.gz JWDBAUVAZHHCJH-UHFFFAOYSA-N 1 0 327.424 3.327 10 10 EGCERO COc1ccc(N2CC[C@H]([NH2+][C@@H](C3CCC3)[C@H]3CCOC3)C2)cc1 ZINC000926680244 1327663430 /nfs/dbraw/zinc/66/34/30/1327663430.db2.gz LCUBMPSIIWDILJ-ZWOKBUDYSA-N 1 0 330.472 3.069 10 10 EGCERO COc1ccc(N2CC[C@@H]([NH2+][C@H](C)C3(Br)CC3)C2)cc1 ZINC000926680311 1327663653 /nfs/dbraw/zinc/66/36/53/1327663653.db2.gz MBVMUDLZCFOEDI-CHWSQXEVSA-N 1 0 339.277 3.180 10 10 EGCERO OC1CCN(c2ccc(C[NH2+][C@@H]3CCOC34CCCCC4)cc2)CC1 ZINC000926725457 1327684611 /nfs/dbraw/zinc/68/46/11/1327684611.db2.gz SPYKOWQUECRWGY-HXUWFJFHSA-N 1 0 344.499 3.229 10 10 EGCERO C[NH+](C)CC1(C(=O)NCc2ccc3cccnc3c2O)CCCCC1 ZINC000862026882 1329455633 /nfs/dbraw/zinc/45/56/33/1329455633.db2.gz BJUWMQAZRZNUJI-UHFFFAOYSA-N 1 0 341.455 3.069 10 10 EGCERO CC[C@@H]([NH2+]CC[C@@H](O)C(F)F)c1ccc(C(F)(F)F)cc1O ZINC000866442747 1330112778 /nfs/dbraw/zinc/11/27/78/1330112778.db2.gz RJDLEVDSGCOJKG-GHMZBOCLSA-N 1 0 327.293 3.468 10 10 EGCERO Cc1cc(Br)cc([C@@H](C)[NH2+]CC[C@@H](O)C(F)F)c1O ZINC000866442182 1330112966 /nfs/dbraw/zinc/11/29/66/1330112966.db2.gz GJNFXHIEAKVYKO-LDYMZIIASA-N 1 0 338.192 3.130 10 10 EGCERO CC[C@H]([NH2+][C@H]1C[C@H](S(=O)(=O)c2ccccc2)C1)c1ccccc1O ZINC000866516641 1330120930 /nfs/dbraw/zinc/12/09/30/1330120930.db2.gz FSWZRVZDMOXAKZ-ZVZYQTTQSA-N 1 0 345.464 3.438 10 10 EGCERO C[C@H](NC(=O)NCC[N@H+](C)Cc1ccc(F)cc1)c1ccccc1O ZINC000868335921 1330272143 /nfs/dbraw/zinc/27/21/43/1330272143.db2.gz MILLOFUCQGRQQC-AWEZNQCLSA-N 1 0 345.418 3.024 10 10 EGCERO C=C/C(C)=C\CC(=O)NCC1([NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC001323515664 1387379538 /nfs/dbraw/zinc/37/95/38/1387379538.db2.gz CSACULCMQNCOJY-UUASQNMZSA-N 1 0 328.456 3.264 10 10 EGCERO Cc1cc(CN2CCC[N@H+](Cc3c(O)cc(C)cc3Cl)CC2)no1 ZINC001325289221 1387929457 /nfs/dbraw/zinc/92/94/57/1387929457.db2.gz MPLVMEDVDFXNLV-UHFFFAOYSA-N 1 0 349.862 3.358 10 10 EGCERO CN(C)c1ccc(/C=C/C[N@@H+]2CCC[C@H](Cc3nccn3C)C2)cc1 ZINC001117830204 1371097516 /nfs/dbraw/zinc/09/75/16/1371097516.db2.gz ANGNZHZTKSKDRE-FHHGHWCOSA-N 1 0 338.499 3.454 10 10 EGCERO CCC(C)(C)CCNC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001234316875 1376806861 /nfs/dbraw/zinc/80/68/61/1376806861.db2.gz SDDNHXLFUNLBSP-GOSISDBHSA-N 1 0 348.535 3.481 10 10 EGCERO CCc1ccccc1C(=O)N(C)CC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001266819408 1377386074 /nfs/dbraw/zinc/38/60/74/1377386074.db2.gz IDMNIYNGFXFDBD-UHFFFAOYSA-N 1 0 340.467 3.428 10 10 EGCERO C[N@H+](CCNC(=O)c1cc2cc(O)c(O)cc2s1)C1CCCCC1 ZINC001136422325 1377391781 /nfs/dbraw/zinc/39/17/81/1377391781.db2.gz SOMHPQJDHBCXEE-UHFFFAOYSA-N 1 0 348.468 3.307 10 10 EGCERO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001142238915 1378424401 /nfs/dbraw/zinc/42/44/01/1378424401.db2.gz BLTZRBGYJDJOME-ZDUSSCGKSA-N 1 0 345.447 3.089 10 10 EGCERO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CC[C@@H]2C[C@@H](C)C[N@@H+]2C1 ZINC001142417315 1378441353 /nfs/dbraw/zinc/44/13/53/1378441353.db2.gz QEZICWYLMLQMPF-YVWKXTFCSA-N 1 0 343.515 3.222 10 10 EGCERO COc1ccc(C[NH2+]CCC[C@@H](C)NC(=O)C2CC(C)C2)cc1C ZINC001283152881 1378746955 /nfs/dbraw/zinc/74/69/55/1378746955.db2.gz XQMGYRBKOQCFHY-BFHRDPOASA-N 1 0 332.488 3.424 10 10 EGCERO C[C@]12CN(C(=O)C3=CC(=O)CS3)C[C@H]1C[N@H+](Cc1ccccc1)C2 ZINC001154312217 1380253600 /nfs/dbraw/zinc/25/36/00/1380253600.db2.gz BWBCSRIMRBPNGJ-BEFAXECRSA-N 1 0 342.464 3.048 10 10 EGCERO C[NH+](C)CCc1cccc(C(=O)NCc2cccc(Cl)c2O)c1 ZINC001159041428 1381535507 /nfs/dbraw/zinc/53/55/07/1381535507.db2.gz MNJSDMCBAODNHT-UHFFFAOYSA-N 1 0 332.831 3.080 10 10 EGCERO CC(C)C[C@@H](C)CC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001288334597 1381782241 /nfs/dbraw/zinc/78/22/41/1381782241.db2.gz LKVXLCOENKIFEP-QGZVFWFLSA-N 1 0 331.504 3.127 10 10 EGCERO O=C(NCc1ccc(N2CCCCC2)cc1)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001299788263 1383628571 /nfs/dbraw/zinc/62/85/71/1383628571.db2.gz GJJVSKYDEWBJPT-WOJBJXKFSA-N 1 0 341.499 3.310 10 10 EGCERO Cc1cc(C(=O)N2CC[C@@H]([NH+]3CCC3)C2)c(C)n1-c1ccccc1C ZINC001167473681 1383643817 /nfs/dbraw/zinc/64/38/17/1383643817.db2.gz OJDYKLHZZWPDBW-GOSISDBHSA-N 1 0 337.467 3.323 10 10 EGCERO CC[C@@H]1C[C@@H](C)CN1C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001313410103 1384416515 /nfs/dbraw/zinc/41/65/15/1384416515.db2.gz DMVPDHAUUKSBCA-SZVBFZGTSA-N 1 0 346.519 3.185 10 10 EGCERO C[C@H]1[C@@H](C)N(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)C[C@H]1C ZINC001313410842 1384416569 /nfs/dbraw/zinc/41/65/69/1384416569.db2.gz FWWSXWQITBRYRQ-YKTARERQSA-N 1 0 346.519 3.041 10 10 EGCERO COc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)C[C@H](C)C2CC2)cc1C ZINC001319594043 1386195846 /nfs/dbraw/zinc/19/58/46/1386195846.db2.gz RBEIBHDMQOWPPZ-HOCLYGCPSA-N 1 0 332.488 3.376 10 10 EGCERO COc1ccc(C[NH2+][C@H](CNC(=O)[C@H]2CC2(C)C)C(C)C)cc1C ZINC001319902831 1386377896 /nfs/dbraw/zinc/37/78/96/1386377896.db2.gz DIXDGRAVDAVHIZ-IAGOWNOFSA-N 1 0 332.488 3.280 10 10 EGCERO OC1CCN(c2ccc(C[NH2+]CCc3ccc(F)cc3)cc2F)CC1 ZINC001319913173 1386386243 /nfs/dbraw/zinc/38/62/43/1386386243.db2.gz IXZRTSAFOOQITI-UHFFFAOYSA-N 1 0 346.421 3.258 10 10 EGCERO COc1ccc(C[NH2+]C[C@](C)(NC(=O)[C@H]2C[C@@H]2C)C2CC2)cc1C ZINC001698650779 1406300757 /nfs/dbraw/zinc/30/07/57/1406300757.db2.gz ZWKHQXHNWDUTJW-ROOHIHILSA-N 1 0 330.472 3.034 10 10 EGCERO COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)c2c(C)coc2C)cc1C ZINC001331439106 1389748921 /nfs/dbraw/zinc/74/89/21/1389748921.db2.gz DLGSXFMECYTYNH-HNNXBMFYSA-N 1 0 344.455 3.464 10 10 EGCERO Cc1cc(C2([NH2+]Cc3ccc(N4CCCC4)cc3)CCOCC2)on1 ZINC001334908259 1390618378 /nfs/dbraw/zinc/61/83/78/1390618378.db2.gz VBZYXVCIDLHACI-UHFFFAOYSA-N 1 0 341.455 3.379 10 10 EGCERO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+][C@H]1Cc2ccccc2N(C)C1=O ZINC001346870609 1390983741 /nfs/dbraw/zinc/98/37/41/1390983741.db2.gz YURAZAZGPNFQIZ-BMFZPTHFSA-N 1 0 336.435 3.426 10 10 EGCERO COC(=O)c1c(C[NH2+]C[C@@H]2CCO[C@@H](C)C2)c2cc(F)ccc2n1C ZINC001350316751 1391446370 /nfs/dbraw/zinc/44/63/70/1391446370.db2.gz OZVXNFLKQHDXBO-QWHCGFSZSA-N 1 0 348.418 3.009 10 10 EGCERO CC(C)CN(C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C)C(C)C ZINC001479534216 1392272224 /nfs/dbraw/zinc/27/22/24/1392272224.db2.gz JVGBHLPMIHLBAZ-IBGZPJMESA-N 1 0 348.535 3.431 10 10 EGCERO COc1ccc(C[NH2+][C@@H](CNC(=O)C2(CF)CCC2)C2CC2)cc1C ZINC001480046370 1392550096 /nfs/dbraw/zinc/55/00/96/1392550096.db2.gz DOGMUCLRQHVQKD-KRWDZBQOSA-N 1 0 348.462 3.128 10 10 EGCERO COc1ccc(C[NH2+][C@@H](C)CNC(=O)C=C2CCCCC2)cc1C ZINC001480432252 1392753067 /nfs/dbraw/zinc/75/30/67/1392753067.db2.gz HTTSWYMWZWHUQO-INIZCTEOSA-N 1 0 330.472 3.488 10 10 EGCERO COc1ccc(C[NH2+][C@H](C)CNC(=O)[C@H](C)c2cccs2)cc1C ZINC001480535435 1392782675 /nfs/dbraw/zinc/78/26/75/1392782675.db2.gz FIVZOSAXEKZWAT-HUUCEWRRSA-N 1 0 346.496 3.463 10 10 EGCERO C=C/C(C)=C\CC(=O)N1CC[C@@H](C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001480662620 1392841058 /nfs/dbraw/zinc/84/10/58/1392841058.db2.gz UUIKSBOXPVGMJK-ICRRLBEQSA-N 1 0 342.483 3.464 10 10 EGCERO COc1ccc(C[NH2+][C@H](C)[C@H](C)NC(=O)c2ccccc2)cc1C ZINC001485115435 1395664091 /nfs/dbraw/zinc/66/40/91/1395664091.db2.gz FEWJCGDGBHBRNY-CVEARBPZSA-N 1 0 326.440 3.300 10 10 EGCERO C/C=C(/C)C(=O)N1CC[C@@](C)(C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001500335924 1396186671 /nfs/dbraw/zinc/18/66/71/1396186671.db2.gz XSJVEUVEQLMQJR-FJERTDIJSA-N 1 0 330.472 3.298 10 10 EGCERO CCN(CC[NH2+]Cc1ccc(OC)c(C)c1)C(=O)c1oc(C)cc1C ZINC001699176107 1412553913 /nfs/dbraw/zinc/55/39/13/1412553913.db2.gz CCSJJLMKWNRNPN-UHFFFAOYSA-N 1 0 344.455 3.465 10 10 EGCERO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)[C@H]2CCCC2(C)C)cc1C ZINC001699377712 1412684833 /nfs/dbraw/zinc/68/48/33/1412684833.db2.gz LUBXORDLNRBPJC-NVXWUHKLSA-N 1 0 332.488 3.424 10 10 EGCERO COc1ccc(C[NH2+]C[C@H](C)NC(=O)C[C@H](C)c2ccco2)cc1C ZINC001699428501 1412745320 /nfs/dbraw/zinc/74/53/20/1412745320.db2.gz YUFMFYCIKCOHHI-HOTGVXAUSA-N 1 0 344.455 3.385 10 10 EGCERO COc1ccc(C[NH2+]CCCN(C)C(=O)[C@@H]2CCC2(C)C)cc1C ZINC001699530783 1412908351 /nfs/dbraw/zinc/90/83/51/1412908351.db2.gz OPLBYXNGDSMNHL-KRWDZBQOSA-N 1 0 332.488 3.378 10 10 EGCERO COc1ccc(C[NH2+]C[C@@H]2CCC[C@H]2NC(=O)C=C(C)C)cc1C ZINC001732611418 1428872315 /nfs/dbraw/zinc/87/23/15/1428872315.db2.gz WDACMWARNDMLAR-ZWKOTPCHSA-N 1 0 330.472 3.344 10 10 EGCERO COc1ccc(C[NH2+]C/C=C/CNC(=O)C[C@@H]2CC[C@@H]3C[C@@H]32)cc1C ZINC001732867942 1429018995 /nfs/dbraw/zinc/01/89/95/1429018995.db2.gz DXQNGUYMQGNTKC-QGZQEYEKSA-N 1 0 342.483 3.202 10 10 EGCERO CCc1[nH]ccc1C(=O)NCC[C@@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001713407060 1418030609 /nfs/dbraw/zinc/03/06/09/1418030609.db2.gz STPPDEGAAJCJKG-OAHLLOKOSA-N 1 0 343.471 3.192 10 10 EGCERO COc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)C2(C3CC3)CC2)cc1C ZINC001715335866 1420040257 /nfs/dbraw/zinc/04/02/57/1420040257.db2.gz FLBFBEXVRVKTBC-HNNXBMFYSA-N 1 0 330.472 3.130 10 10 EGCERO COc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)C(C)(C)C2CC2)cc1C ZINC001715356524 1420055998 /nfs/dbraw/zinc/05/59/98/1420055998.db2.gz MEFNRWDBAMUPGT-HNNXBMFYSA-N 1 0 332.488 3.376 10 10 EGCERO COc1ccc(C[NH2+]CC[C@@H](C)NC(=O)c2cc(C)co2)cc1C ZINC001715671720 1420288195 /nfs/dbraw/zinc/28/81/95/1420288195.db2.gz IIUNMSQLJNEOAF-OAHLLOKOSA-N 1 0 330.428 3.203 10 10 EGCERO CCN(CC[NH2+]Cc1ccc(OC)c(C)c1)C(=O)[C@H]1CC[C@@H](F)C1 ZINC001715752719 1420325581 /nfs/dbraw/zinc/32/55/81/1420325581.db2.gz SVRXLEYDHWBPIJ-DLBZAZTESA-N 1 0 336.451 3.080 10 10 EGCERO COc1ccc(C[NH2+]CCC[C@@H](C)NC(=O)c2ccccn2)cc1C ZINC001717654760 1421552978 /nfs/dbraw/zinc/55/29/78/1421552978.db2.gz DTMQBJRJKOIBQZ-MRXNPFEDSA-N 1 0 341.455 3.087 10 10 EGCERO COc1ccc(C[NH2+]C[C@@H](NC(=O)[C@H](C)C2CCC2)C2CC2)cc1C ZINC001723309126 1424343408 /nfs/dbraw/zinc/34/34/08/1424343408.db2.gz YSIYKLUWNGZXHI-DNVCBOLYSA-N 1 0 344.499 3.424 10 10 EGCERO COc1ccc(C[NH2+]C[C@@H](NC(=O)[C@@H](C)C2CCC2)C2CC2)cc1C ZINC001723309128 1424343545 /nfs/dbraw/zinc/34/35/45/1424343545.db2.gz YSIYKLUWNGZXHI-HNAYVOBHSA-N 1 0 344.499 3.424 10 10 EGCERO CCCC[NH2+][C@@H](C)[C@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001733538039 1429743957 /nfs/dbraw/zinc/74/39/57/1429743957.db2.gz JABBNXCSJNMHNH-ZFWWWQNUSA-N 1 0 345.447 3.089 10 10 EGCERO COc1ccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)c2cc(Cl)c[nH]2)cc1C ZINC001725078365 1425517355 /nfs/dbraw/zinc/51/73/55/1425517355.db2.gz FEQXKKHXEXMNNW-CHWSQXEVSA-N 1 0 349.862 3.282 10 10 EGCERO COc1ccc(C[NH2+][C@@H](C)[C@H](C)NC(=O)Cc2ccccc2)cc1C ZINC001725090741 1425533035 /nfs/dbraw/zinc/53/30/35/1425533035.db2.gz HSSXLFURJPDVBE-IRXDYDNUSA-N 1 0 340.467 3.229 10 10 EGCERO COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)c2ccccc2)cc1C ZINC001725471145 1426142329 /nfs/dbraw/zinc/14/23/29/1426142329.db2.gz HKQCKRZJUHDWSU-INIZCTEOSA-N 1 0 326.440 3.254 10 10 EGCERO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)CCC(F)(F)F)C2)cc1C ZINC001731472181 1427451206 /nfs/dbraw/zinc/45/12/06/1427451206.db2.gz BVDYVYMUEWDKBC-OKILXGFUSA-N 1 0 344.377 3.083 10 10 EGCERO CCCC[C@@H](C[NH2+]C(C)C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001734099297 1437883452 /nfs/dbraw/zinc/88/34/52/1437883452.db2.gz FRSOLCRZRDXTOL-HNNXBMFYSA-N 1 0 333.436 3.136 10 10 EGCERO COc1ccc(C[NH2+]C[C@@H](NC(=O)[C@@H]2CC23CC3)C(C)(C)C)cc1C ZINC001734569501 1438164018 /nfs/dbraw/zinc/16/40/18/1438164018.db2.gz NDBZAUOHXUWYEQ-FUHWJXTLSA-N 1 0 344.499 3.424 10 10 EGCERO O=C1CCCN1C[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)c1ccccc1 ZINC000054175652 214221409 /nfs/dbraw/zinc/22/14/09/214221409.db2.gz VBFQZPPAOBFZDR-LJQANCHMSA-N 1 0 336.435 3.075 10 10 EGCERO CCN(Cc1ccc(N(C)C)cc1)C(=O)c1occc1C[NH+](C)C ZINC000328590122 258044317 /nfs/dbraw/zinc/04/43/17/258044317.db2.gz DGZLRMUEKCBQTC-UHFFFAOYSA-N 1 0 329.444 3.070 10 10 EGCERO CO[C@H]1C[C@H](c2nc(C)no2)N(Cc2cc(Cl)cc(C)c2O)C1 ZINC000190143205 455282612 /nfs/dbraw/zinc/28/26/12/455282612.db2.gz ABCWEJTWYVZERN-UONOGXRCSA-N 1 0 337.807 3.007 10 10 EGCERO CCC[N@H+](CC(=O)Nc1ccccc1OC)Cc1ccccc1O ZINC000069009929 454072968 /nfs/dbraw/zinc/07/29/68/454072968.db2.gz QABCSJQLYKWJEX-UHFFFAOYSA-N 1 0 328.412 3.252 10 10 EGCERO c1[nH]nc(-c2cccnc2)c1C[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000097159314 454418573 /nfs/dbraw/zinc/41/85/73/454418573.db2.gz WLFXRKHVWACNGP-UHFFFAOYSA-N 1 0 333.439 3.362 10 10 EGCERO C[C@H]1C[C@@H]([N@H+](C)Cc2cc(Br)ccc2O)CCN1C ZINC000093643633 454725735 /nfs/dbraw/zinc/72/57/35/454725735.db2.gz UIHQMVVLLSKSJG-FZMZJTMJSA-N 1 0 327.266 3.069 10 10 EGCERO COc1ccc(O)c(C[N@@H+]2CCC[C@H](C(=O)Nc3ccccc3)C2)c1 ZINC000179639722 455063604 /nfs/dbraw/zinc/06/36/04/455063604.db2.gz GJKXMEKGQOJODQ-HNNXBMFYSA-N 1 0 340.423 3.252 10 10 EGCERO C[C@@H]([NH2+][C@@H]1CCc2ncnn2C1)c1ccc(N2CCCCCC2)cc1 ZINC000180602588 455205934 /nfs/dbraw/zinc/20/59/34/455205934.db2.gz WLBSBZBIVXTUDI-SJLPKXTDSA-N 1 0 339.487 3.324 10 10 EGCERO CC[C@@H]([NH2+]CC1(C)OCCCO1)c1cc(Br)ccc1O ZINC000190644391 455358536 /nfs/dbraw/zinc/35/85/36/455358536.db2.gz MNBLEWAGVUKJEQ-CYBMUJFWSA-N 1 0 344.249 3.349 10 10 EGCERO C[C@H]([NH2+]C1CCN(C(=O)c2ccccc2)CC1)c1cc(F)ccc1O ZINC000185172966 455515830 /nfs/dbraw/zinc/51/58/30/455515830.db2.gz IKDNPLFBSGKDRD-AWEZNQCLSA-N 1 0 342.414 3.487 10 10 EGCERO CC(=O)N1CC[C@H]([NH2+]Cc2cccc(C)c2O)c2ccc(F)cc2C1 ZINC000185604010 455584084 /nfs/dbraw/zinc/58/40/84/455584084.db2.gz DFRDCPTWEJPDLY-IBGZPJMESA-N 1 0 342.414 3.423 10 10 EGCERO Cc1cc(C)c([C@H](C)[NH2+]Cc2cccc(CS(C)(=O)=O)c2)c(O)c1 ZINC000283900546 455608504 /nfs/dbraw/zinc/60/85/04/455608504.db2.gz CXASXCRMDGVWFH-HNNXBMFYSA-N 1 0 347.480 3.404 10 10 EGCERO CC(C)(C)[C@@H](O)C[C@H](CO)[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000284178495 455646983 /nfs/dbraw/zinc/64/69/83/455646983.db2.gz XLOVZIISVLYUBX-QUCCMNQESA-N 1 0 343.467 3.307 10 10 EGCERO C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@H]2C1(C)C)c1ccc(N2CCOCC2)c(F)c1 ZINC000247934435 455656694 /nfs/dbraw/zinc/65/66/94/455656694.db2.gz CIUMAJQQOUGLBM-LLBUTXAOSA-N 1 0 348.462 3.126 10 10 EGCERO CCc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1ccc3ccccc3c1O)CC2 ZINC000185995463 455670731 /nfs/dbraw/zinc/67/07/31/455670731.db2.gz FODLCONYDPQDGP-ZFWWWQNUSA-N 1 0 336.439 3.365 10 10 EGCERO Cc1cc(Cl)cc(C[NH2+]C2CCC(CS(C)(=O)=O)CC2)c1O ZINC000295196751 455842489 /nfs/dbraw/zinc/84/24/89/455842489.db2.gz YAHFQGXKRRVYOP-UHFFFAOYSA-N 1 0 345.892 3.047 10 10 EGCERO Cc1noc(CC[NH2+][C@@H](C)c2cc(Br)cc(C)c2O)n1 ZINC000187321466 455894435 /nfs/dbraw/zinc/89/44/35/455894435.db2.gz MDPZWYDWMJUKPN-VIFPVBQESA-N 1 0 340.221 3.048 10 10 EGCERO CC(C)(C)OC(=O)N1CC[C@H](C[NH2+][C@H]2CCc3cccc(O)c32)C1 ZINC000296270218 455896240 /nfs/dbraw/zinc/89/62/40/455896240.db2.gz CCKHKJFPYNGRLE-HIFRSBDPSA-N 1 0 332.444 3.226 10 10 EGCERO CN(C)c1ccc(C[NH2+]CC2(C)OCCCO2)c(C(F)(F)F)c1 ZINC000280691748 456031959 /nfs/dbraw/zinc/03/19/59/456031959.db2.gz VUVPYWXHXTXRHD-UHFFFAOYSA-N 1 0 332.366 3.014 10 10 EGCERO CC[C@@H]([NH2+][C@@H]1CCN(Cc2ccc(F)cc2)C1=O)c1ccccc1O ZINC000189033874 456204623 /nfs/dbraw/zinc/20/46/23/456204623.db2.gz ZIFCFPZDRUOKEF-QZTJIDSGSA-N 1 0 342.414 3.373 10 10 EGCERO Cc1ccc([C@@H](C)[NH2+][C@H](Cc2ccccc2)C(=O)N(C)C)c(O)c1C ZINC000273582587 456238887 /nfs/dbraw/zinc/23/88/87/456238887.db2.gz NBNCADDSRVBGPY-VQIMIIECSA-N 1 0 340.467 3.359 10 10 EGCERO CCOCc1nc([C@H](C)N[C@@H](CC)c2ccc(N(C)C)cc2)no1 ZINC000290131359 456247946 /nfs/dbraw/zinc/24/79/46/456247946.db2.gz JZGPWPOMTKSSOR-BBRMVZONSA-N 1 0 332.448 3.474 10 10 EGCERO C[C@@H]([NH2+]Cc1cccc(N2CCOCC2)n1)c1cc(Cl)ccc1O ZINC000274753894 456264630 /nfs/dbraw/zinc/26/46/30/456264630.db2.gz BTHKKFPVFOMZQC-CYBMUJFWSA-N 1 0 347.846 3.128 10 10 EGCERO Cc1cc(Cl)cc(C[NH2+]C[C@H]2CCC3(CCOCC3)[C@@H]2O)c1O ZINC000283115599 456714062 /nfs/dbraw/zinc/71/40/62/456714062.db2.gz UVCKIVGBQXCXIM-CXAGYDPISA-N 1 0 339.863 3.011 10 10 EGCERO Cc1ccc([C@H](C)[NH2+]C[C@H]2CCC3(CCOCC3)[C@@H]2O)c(O)c1C ZINC000283370715 456766721 /nfs/dbraw/zinc/76/67/21/456766721.db2.gz NXWZPZDNTWYHGA-FRQCXROJSA-N 1 0 333.472 3.227 10 10 EGCERO C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]Cc1cc(F)ccc1O ZINC000277414946 456816859 /nfs/dbraw/zinc/81/68/59/456816859.db2.gz IPIYQFTWJAVAEF-WFASDCNBSA-N 1 0 338.423 3.266 10 10 EGCERO COc1ccc(CN2CC[C@H]2C[NH2+]Cc2c(O)cccc2Cl)cc1 ZINC000527775362 459732557 /nfs/dbraw/zinc/73/25/57/459732557.db2.gz SRUMHGAKCDVQGW-HNNXBMFYSA-N 1 0 346.858 3.418 10 10 EGCERO CC[C@H]([NH2+]Cc1cnn(CC)n1)c1ccc(C(F)(F)F)cc1O ZINC000527922161 459774250 /nfs/dbraw/zinc/77/42/50/459774250.db2.gz CKTMOJOOYCAGJY-ZDUSSCGKSA-N 1 0 328.338 3.263 10 10 EGCERO COc1ccc(CN2CC[C@H]2C[NH2+][C@H]2CCc3cccc(O)c32)cc1 ZINC000527965483 459784007 /nfs/dbraw/zinc/78/40/07/459784007.db2.gz MOSPCYOEKLSLHL-HKUYNNGSSA-N 1 0 338.451 3.252 10 10 EGCERO CN(C)c1ccc(C[NH+]2CCN(c3nc4ccccc4o3)CC2)cc1 ZINC000179500886 1294799342 /nfs/dbraw/zinc/79/93/42/1294799342.db2.gz OIADOSVVMITXBZ-UHFFFAOYSA-N 1 0 336.439 3.216 10 10 EGCERO Cc1cc([C@@H]([NH3+])CC(=O)N[C@@H](C)c2ccccc2O)cc(Cl)n1 ZINC000870988221 1296165684 /nfs/dbraw/zinc/16/56/84/1296165684.db2.gz JFEXPLCSWUUMRR-FZMZJTMJSA-N 1 0 333.819 3.016 10 10 EGCERO OC1CCN(c2ccc(C[NH2+][C@H]3CCOC4(CCCC4)C3)cc2)CC1 ZINC000872089453 1296728586 /nfs/dbraw/zinc/72/85/86/1296728586.db2.gz XYIVADDCFVNRMK-SFHVURJKSA-N 1 0 344.499 3.229 10 10 EGCERO CC1(C)C[NH2+]CC[C@@H]([NH2+]Cc2cccc(Br)c2[O-])C1 ZINC000872252791 1296854270 /nfs/dbraw/zinc/85/42/70/1296854270.db2.gz VRQIQSCXGRZWFC-GFCCVEGCSA-N 1 0 327.266 3.023 10 10 EGCERO Cc1cc(O)c(C[NH2+]C[C@@H]2CC[C@@]3(CO[C@H](C)C3)O2)c(Cl)c1 ZINC000886330327 1303436328 /nfs/dbraw/zinc/43/63/28/1303436328.db2.gz QQCVWNLHSAIGKH-IIYDPXPESA-N 1 0 325.836 3.170 10 10 EGCERO COC(=O)c1c(C[NH2+][C@@H]2CCS[C@@H]2C)c2cc(F)ccc2n1C ZINC000895087674 1309187058 /nfs/dbraw/zinc/18/70/58/1309187058.db2.gz FOBWLFUOKQCWIT-QMTHXVAHSA-N 1 0 336.432 3.088 10 10 EGCERO CCN(CC)c1ccc(C[N@H+](C)C[C@@H](O)CCC2(O)CCC2)cc1 ZINC000929185494 1328530431 /nfs/dbraw/zinc/53/04/31/1328530431.db2.gz UEVWGNZVRMUWHP-IBGZPJMESA-N 1 0 334.504 3.021 10 10 EGCERO CN(C)c1cc(F)c(C[NH2+]CCC[C@@H]2CCCC[C@@H]2O)cc1F ZINC000858150616 1328697545 /nfs/dbraw/zinc/69/75/45/1328697545.db2.gz CHAVJAHGHLXLJH-UGSOOPFHSA-N 1 0 326.431 3.452 10 10 EGCERO CC[C@H](COCC1CC1)[NH2+]Cc1c(O)cccc1Br ZINC000858186441 1328706907 /nfs/dbraw/zinc/70/69/07/1328706907.db2.gz BXYSKWIZTKWSJZ-GFCCVEGCSA-N 1 0 328.250 3.450 10 10 EGCERO CCCOc1cncc(NCc2ccc(N3CC[NH+](C)CC3)cc2)c1 ZINC000858255003 1328723725 /nfs/dbraw/zinc/72/37/25/1328723725.db2.gz MXHZXZBHXZFPJC-UHFFFAOYSA-N 1 0 340.471 3.234 10 10 EGCERO CCN(C)c1ccc([C@H](C)[NH2+]Cc2ccc3oc(=O)n(C)c3c2)cc1 ZINC000858538385 1328791751 /nfs/dbraw/zinc/79/17/51/1328791751.db2.gz LYIOVKJDSOMJKM-AWEZNQCLSA-N 1 0 339.439 3.438 10 10 EGCERO C[C@H]([NH2+]C[C@H]1C[C@@H]2[C@H](C1)C2(F)F)c1ccc(N2CCOCC2)cc1 ZINC000930210944 1328813428 /nfs/dbraw/zinc/81/34/28/1328813428.db2.gz QNBOTYALJYQUNJ-ZZCKCESHSA-N 1 0 336.426 3.465 10 10 EGCERO C[C@H]([NH2+]Cc1ccc2c(c1)CCCO2)c1ccc(-n2cncn2)cc1 ZINC000921491873 1322328415 /nfs/dbraw/zinc/32/84/15/1322328415.db2.gz XYUUFPFQLYOBSW-HNNXBMFYSA-N 1 0 334.423 3.443 10 10 EGCERO c1cc(N2CCOCC2)ccc1C[NH2+]CC1C[C@H]2CC[C@@H](C1)S2 ZINC000922423863 1322526067 /nfs/dbraw/zinc/52/60/67/1322526067.db2.gz JFJIPQYEKQUZQI-JLYLLQBASA-N 1 0 332.513 3.287 10 10 EGCERO c1cc(N2CCCCC2)ccc1C[NH2+][C@H]1CCOC12CCOCC2 ZINC000924852862 1323187977 /nfs/dbraw/zinc/18/79/77/1323187977.db2.gz KNQOYVSSQWVVMQ-IBGZPJMESA-N 1 0 330.472 3.105 10 10 EGCERO Cc1cc(CC[NH2+][C@H](C)c2ccc(Br)cc2O)nn1C ZINC000926908746 1327770930 /nfs/dbraw/zinc/77/09/30/1327770930.db2.gz BPZLSAYHLAZGGR-LLVKDONJSA-N 1 0 338.249 3.090 10 10 EGCERO C[C@@H]([NH2+]C[C@H]1C[C@@H]2COC[C@@H]2O1)c1ccc(N2CCCCC2)c(F)c1 ZINC000926945255 1327788973 /nfs/dbraw/zinc/78/89/73/1327788973.db2.gz NCFJPDHVKXEASK-OYRIPWCXSA-N 1 0 348.462 3.271 10 10 EGCERO CCO[C@H](C[NH2+][C@H](C)c1ccc(N2CCCCC2)cc1)CN(C)C ZINC000926961518 1327798728 /nfs/dbraw/zinc/79/87/28/1327798728.db2.gz JKRLREYEBQINDA-YLJYHZDGSA-N 1 0 333.520 3.294 10 10 EGCERO C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)S2(=O)=O)c1ccc2ccccc2c1O ZINC000927038748 1327826882 /nfs/dbraw/zinc/82/68/82/1327826882.db2.gz FXROUQGBXWHNSA-OHRKKDJYSA-N 1 0 345.464 3.304 10 10 EGCERO CCN(C)c1ccc([C@@H](C)[NH2+]C[C@@H]2CCN2C2CCOCC2)cc1 ZINC000927105190 1327865627 /nfs/dbraw/zinc/86/56/27/1327865627.db2.gz CWRUEAQMKVXUKU-UZLBHIALSA-N 1 0 331.504 3.047 10 10 EGCERO Cc1cc(Cl)cc(C[NH2+]Cc2c(C(F)(F)F)cnn2C)c1O ZINC000862435839 1329486650 /nfs/dbraw/zinc/48/66/50/1329486650.db2.gz NADWHORDENQFGN-UHFFFAOYSA-N 1 0 333.741 3.396 10 10 EGCERO COC(=O)Cc1ccc(C[NH2+]C/C=C/c2ccc(N(C)C)cc2)cc1 ZINC000862448719 1329488325 /nfs/dbraw/zinc/48/83/25/1329488325.db2.gz YQRDPHOKXUJFNF-SNAWJCMRSA-N 1 0 338.451 3.271 10 10 EGCERO COc1cncc(C[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)c1C ZINC000865432483 1329696751 /nfs/dbraw/zinc/69/67/51/1329696751.db2.gz YHSFNLNUKVWJSC-MRXNPFEDSA-N 1 0 341.455 3.086 10 10 EGCERO COc1cc(C[NH2+][C@@H]2[C@H]3C[C@H]4CO[C@H]2[C@H]4C3)c(O)c(C(C)(C)C)c1 ZINC000865696881 1329730319 /nfs/dbraw/zinc/73/03/19/1329730319.db2.gz UVYMHEAZSZMDGX-QBWYGHBXSA-N 1 0 331.456 3.211 10 10 EGCERO CC[C@H]([NH2+]CC[C@@H](O)C(F)F)c1ccc(C(F)(F)F)cc1O ZINC000866442750 1330112854 /nfs/dbraw/zinc/11/28/54/1330112854.db2.gz RJDLEVDSGCOJKG-WDEREUQCSA-N 1 0 327.293 3.468 10 10 EGCERO CC[C@@H]([NH2+]Cc1ccc(CN2CCNC2=O)cc1)c1ccccc1O ZINC000866575726 1330129063 /nfs/dbraw/zinc/12/90/63/1330129063.db2.gz COXMZWSBVVSHRK-GOSISDBHSA-N 1 0 339.439 3.158 10 10 EGCERO Cc1cc(N(C)C)ccc1CNC(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000868186126 1330260299 /nfs/dbraw/zinc/26/02/99/1330260299.db2.gz NXGYJXVLBZJKBE-RBUKOAKNSA-N 1 0 338.455 3.197 10 10 EGCERO C[C@H](NC(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1)c1ccccc1O ZINC000868777192 1330341515 /nfs/dbraw/zinc/34/15/15/1330341515.db2.gz UMZIOUIYYNTGJB-LSDHHAIUSA-N 1 0 331.460 3.159 10 10 EGCERO CN(C)c1ccc(C[NH2+][C@H]2CCN(C)[C@@H]2c2ccc(F)cc2)cc1 ZINC001324555717 1387670199 /nfs/dbraw/zinc/67/01/99/1387670199.db2.gz HWJKXEIBHVXXMA-VQTJNVASSA-N 1 0 327.447 3.427 10 10 EGCERO C[C@@H]([NH2+][C@@H](C(N)=O)c1ccc(Br)cc1)c1ccccc1O ZINC001197003904 1368729501 /nfs/dbraw/zinc/72/95/01/1368729501.db2.gz MPFVSODFNXKRCC-MEBBXXQBSA-N 1 0 349.228 3.032 10 10 EGCERO C[C@H]1C[C@@H]([N@H+](C)Cc2cc(Br)cc(F)c2[O-])CCN1C ZINC001119443206 1371343043 /nfs/dbraw/zinc/34/30/43/1371343043.db2.gz JEQREUAERSAHKK-GWCFXTLKSA-N 1 0 345.256 3.208 10 10 EGCERO COc1ccc(C[NH2+]CCC[C@H](C)NC(=O)C2=CCCC2)cc1C ZINC001283157482 1378747980 /nfs/dbraw/zinc/74/79/80/1378747980.db2.gz VDZNFPSKVIPNHC-INIZCTEOSA-N 1 0 330.472 3.488 10 10 EGCERO CN(C)c1ccc(C[N@H+](C)[C@@H]2CCCN(c3ccccc3)C2=O)cc1 ZINC001167387351 1383619982 /nfs/dbraw/zinc/61/99/82/1383619982.db2.gz RKVWUNQUFYNNJB-HXUWFJFHSA-N 1 0 337.467 3.380 10 10 EGCERO O=C(NCc1ccc(N2CCCCC2)cc1)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001299788262 1383628539 /nfs/dbraw/zinc/62/85/39/1383628539.db2.gz GJJVSKYDEWBJPT-VQTJNVASSA-N 1 0 341.499 3.310 10 10 EGCERO CCOc1ccc(N2CC[NH+](C[C@H]3CC4(CCC4)CO3)CC2)cc1 ZINC001168331240 1383875188 /nfs/dbraw/zinc/87/51/88/1383875188.db2.gz AFGOGELIFKIIBF-LJQANCHMSA-N 1 0 330.472 3.167 10 10 EGCERO CN(C)c1ccc(C[N@H+](C[C@@H]2CCC[C@]3(CCOC3)O2)C2CC2)cc1 ZINC001307424112 1383987951 /nfs/dbraw/zinc/98/79/51/1383987951.db2.gz MXTCCCAWIAFILD-LEWJYISDSA-N 1 0 344.499 3.445 10 10 EGCERO CCC(C)(C)[C@@H](C)NC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001312999035 1384385230 /nfs/dbraw/zinc/38/52/30/1384385230.db2.gz MBJUSWFTCRHBOH-MRXNPFEDSA-N 1 0 346.519 3.062 10 10 EGCERO CCCN(CC(C)C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001313409226 1384416572 /nfs/dbraw/zinc/41/65/72/1384416572.db2.gz ALPPEPWQHISQMB-IBGZPJMESA-N 1 0 348.535 3.433 10 10 EGCERO COc1ccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)C2(F)CCCC2)cc1C ZINC001329066358 1388951702 /nfs/dbraw/zinc/95/17/02/1388951702.db2.gz DTVRFCRKYQSPPE-LSDHHAIUSA-N 1 0 336.451 3.269 10 10 EGCERO COc1ccc(C[NH2+][C@H](C)CNC(=O)CC(C)(C)C2CC2)cc1C ZINC001317239498 1385013313 /nfs/dbraw/zinc/01/33/13/1385013313.db2.gz RUNLQIRSYIRIBB-OAHLLOKOSA-N 1 0 332.488 3.424 10 10 EGCERO COc1ccc(C[NH2+][C@@H](C)CNC(=O)[C@@H]2CC23CCCC3)cc1C ZINC001317275167 1385044139 /nfs/dbraw/zinc/04/41/39/1385044139.db2.gz IODZFKJMLITQAS-RDJZCZTQSA-N 1 0 330.472 3.178 10 10 EGCERO COc1ccc(C[NH2+][C@H](C)CCNC(=O)/C=C(\C)C2CC2)cc1C ZINC001317391240 1385110660 /nfs/dbraw/zinc/11/06/60/1385110660.db2.gz XSHACIJZURGTAV-WCRPCQDQSA-N 1 0 330.472 3.344 10 10 EGCERO CCN(C)c1ccc(C[N@@H+]2Cc3cnn(C)c3CC(C)(C)C2)cc1 ZINC001174975413 1385177471 /nfs/dbraw/zinc/17/74/71/1385177471.db2.gz KKFXOQNQSFJSKV-UHFFFAOYSA-N 1 0 326.488 3.461 10 10 EGCERO COc1ccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)[C@H]2C[C@H]3C[C@H]3C2)cc1C ZINC001329104568 1388970371 /nfs/dbraw/zinc/97/03/71/1388970371.db2.gz RAEGDIIEYUQKTA-XQZMSQOBSA-N 1 0 330.472 3.033 10 10 EGCERO COc1ccc(C[NH2+][C@H](C)[C@H](C)NC(=O)[C@H]2C[C@H]3C[C@H]3C2)cc1C ZINC001329104566 1388970557 /nfs/dbraw/zinc/97/05/57/1388970557.db2.gz RAEGDIIEYUQKTA-ILMPWQCYSA-N 1 0 330.472 3.033 10 10 EGCERO Cc1c(NC(=O)CC[NH2+][C@@H](C)c2ccccc2O)cccc1[N+](=O)[O-] ZINC001175419499 1385281840 /nfs/dbraw/zinc/28/18/40/1385281840.db2.gz VVGPVWOIXDTULF-ZDUSSCGKSA-N 1 0 343.383 3.288 10 10 EGCERO CC(C)(C)[C@@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2)CCO1 ZINC001176995412 1385768064 /nfs/dbraw/zinc/76/80/64/1385768064.db2.gz LXYLOZNEJUXHTP-IBGZPJMESA-N 1 0 332.488 3.160 10 10 EGCERO COc1ccc(C[NH2+]C[C@@H](C)CNC(=O)c2[nH]c(C)cc2C)cc1C ZINC001319210327 1386007483 /nfs/dbraw/zinc/00/74/83/1386007483.db2.gz WUUYMPFXGVBRFS-CYBMUJFWSA-N 1 0 343.471 3.104 10 10 EGCERO COc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)c2cnc(C)s2)cc1C ZINC001319431285 1386119116 /nfs/dbraw/zinc/11/91/16/1386119116.db2.gz SIYIKBSPFDUBRG-ZDUSSCGKSA-N 1 0 347.484 3.019 10 10 EGCERO COc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)[C@@H](C)c2ccco2)cc1C ZINC001319527578 1386162638 /nfs/dbraw/zinc/16/26/38/1386162638.db2.gz IXSBXFWFIMIBJO-HOTGVXAUSA-N 1 0 344.455 3.337 10 10 EGCERO CN1CCN(c2ccc(C[N@H+](C)Cc3ccc(F)cc3)cc2F)CC1 ZINC001320476515 1386621432 /nfs/dbraw/zinc/62/14/32/1386621432.db2.gz YXGGJSGEOUDZHY-UHFFFAOYSA-N 1 0 345.437 3.349 10 10 EGCERO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]C[C@H]1CCC2(CCOCC2)[C@@H]1O ZINC001321792172 1386985831 /nfs/dbraw/zinc/98/58/31/1386985831.db2.gz DSSAUMKZWCXNAV-IHSNIMORSA-N 1 0 345.483 3.406 10 10 EGCERO COc1ccc(C[NH2+]C[C@H](C)NC(=O)[C@@H](C)c2cccs2)cc1C ZINC001321981016 1387023560 /nfs/dbraw/zinc/02/35/60/1387023560.db2.gz IVYCYCAPPXNVAZ-GJZGRUSLSA-N 1 0 346.496 3.463 10 10 EGCERO COc1ccc(C[NH2+]CCCN(C)C(=O)c2ccc(C)o2)cc1C ZINC001322396254 1387178916 /nfs/dbraw/zinc/17/89/16/1387178916.db2.gz YOHQCIAENKPFER-UHFFFAOYSA-N 1 0 330.428 3.157 10 10 EGCERO O=C(NCc1cccc(O)c1O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC001347530643 1391088328 /nfs/dbraw/zinc/08/83/28/1391088328.db2.gz GOBMUBLDEGXMET-UHFFFAOYSA-N 1 0 340.423 3.014 10 10 EGCERO COC[C@@H]1CCC[N@H+](Cc2ccc(Br)cc2O)CC1 ZINC001350620866 1391491964 /nfs/dbraw/zinc/49/19/64/1391491964.db2.gz ZUMCCIQAGSSHII-GFCCVEGCSA-N 1 0 328.250 3.403 10 10 EGCERO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001353920608 1392108117 /nfs/dbraw/zinc/10/81/17/1392108117.db2.gz YXKMSJVKHFJNFF-LJQANCHMSA-N 1 0 329.488 3.118 10 10 EGCERO COc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)[C@H](C)C2CCC2)cc1C ZINC001482297662 1394874440 /nfs/dbraw/zinc/87/44/40/1394874440.db2.gz DEASICWUCJLWSU-HZPDHXFCSA-N 1 0 332.488 3.376 10 10 EGCERO COc1ccc(C[NH2+]C[C@H](CC(C)C)NC(=O)C(C)(C)F)cc1C ZINC001482373455 1394935479 /nfs/dbraw/zinc/93/54/79/1394935479.db2.gz LEXOCOPLSRBNKZ-INIZCTEOSA-N 1 0 338.467 3.372 10 10 EGCERO COc1ccc(C[NH2+]CCC[C@H](C)NC(=O)[C@@H]2CC23CC3)cc1C ZINC001485740200 1396127261 /nfs/dbraw/zinc/12/72/61/1396127261.db2.gz JBJCWRAOZOVXKB-RDJZCZTQSA-N 1 0 330.472 3.178 10 10 EGCERO COc1ccc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@@]3(C)C=CCC3)C2)cc1C ZINC001691514720 1405314313 /nfs/dbraw/zinc/31/43/13/1405314313.db2.gz RALNSTBQLYPHFT-WFXMLNOXSA-N 1 0 342.483 3.344 10 10 EGCERO CC[C@@H](CNC(=O)c1ccccc1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001698591962 1406214996 /nfs/dbraw/zinc/21/49/96/1406214996.db2.gz VLGNGFBYVWFAFS-SFHVURJKSA-N 1 0 326.440 3.302 10 10 EGCERO COc1ccc(C[NH2+]C[C@@H](C)CNC(=O)C(C)(C)C2CC2)cc1C ZINC001732357411 1428546711 /nfs/dbraw/zinc/54/67/11/1428546711.db2.gz UFVPXNULRQHBSZ-CQSZACIVSA-N 1 0 332.488 3.282 10 10 EGCERO CC(C)CCC[NH2+][C@@H](C)[C@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001700430582 1413992630 /nfs/dbraw/zinc/99/26/30/1413992630.db2.gz MRLHZWGEFQLILV-KBPBESRZSA-N 1 0 347.463 3.382 10 10 EGCERO COc1ccc(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)C=C(C)C)C2)cc1C ZINC001700888069 1414546522 /nfs/dbraw/zinc/54/65/22/1414546522.db2.gz WYWOBQSKJOAUGN-QZTJIDSGSA-N 1 0 330.472 3.344 10 10 EGCERO COc1ccc(C[NH2+]CC[C@@H](C)NC(=O)/C=C(\C)C2CC2)cc1C ZINC001732676201 1428903265 /nfs/dbraw/zinc/90/32/65/1428903265.db2.gz GSVQTQQDZOHNHQ-WCRPCQDQSA-N 1 0 330.472 3.344 10 10 EGCERO COc1ccc(C[NH2+]C/C=C\CNC(=O)c2ccc(C)s2)cc1C ZINC001732818312 1428993876 /nfs/dbraw/zinc/99/38/76/1428993876.db2.gz TVXJGCSDGIFODV-PLNGDYQASA-N 1 0 344.480 3.449 10 10 EGCERO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)[C@@H]2C[C@H]2C(C)(C)C)cc1C ZINC001732964197 1429088099 /nfs/dbraw/zinc/08/80/99/1429088099.db2.gz LJXBAYVWFBAVRC-DJIMGWMZSA-N 1 0 332.488 3.280 10 10 EGCERO CCC(C)(C)C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001707090081 1417196176 /nfs/dbraw/zinc/19/61/76/1417196176.db2.gz VTQNMEFGIAVHAQ-QAQDUYKDSA-N 1 0 332.488 3.424 10 10 EGCERO CCC[N@H+](C)C[C@H]1CCCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001713903018 1418702099 /nfs/dbraw/zinc/70/20/99/1418702099.db2.gz LUWJXVSGHJIQKA-CQSZACIVSA-N 1 0 345.447 3.043 10 10 EGCERO COc1ccc(C[NH2+][C@@H](C)CNC(=O)c2ccoc2C2CC2)cc1C ZINC001714266884 1419048147 /nfs/dbraw/zinc/04/81/47/1419048147.db2.gz HBBAWWQYCYLQPK-AWEZNQCLSA-N 1 0 342.439 3.382 10 10 EGCERO COc1ccc(C[NH2+]CCN(C)C(=O)C[C@@H]2CC[C@@H](C)C2)cc1C ZINC001714747186 1419492250 /nfs/dbraw/zinc/49/22/50/1419492250.db2.gz QYNFJMPOGDIJEH-NVXWUHKLSA-N 1 0 332.488 3.378 10 10 EGCERO COc1ccc(C[NH2+][C@@H](CNC(=O)CC(F)(F)F)C(C)C)cc1C ZINC001715529773 1420220262 /nfs/dbraw/zinc/22/02/62/1420220262.db2.gz UKRQBIMDFGWCFW-AWEZNQCLSA-N 1 0 346.393 3.186 10 10 EGCERO COc1ccc(C[NH2+]C/C=C/CNC(=O)[C@@H]2CC[C@@H](C)C2)cc1C ZINC001715876248 1420379822 /nfs/dbraw/zinc/37/98/22/1420379822.db2.gz IGYVGYGCVVVJRO-CHABLROBSA-N 1 0 330.472 3.202 10 10 EGCERO C[C@H](C[NH2+]CC1=CCCCC1)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001715964432 1420430217 /nfs/dbraw/zinc/43/02/17/1420430217.db2.gz IWSRUOZSEYGGIW-CYBMUJFWSA-N 1 0 343.431 3.057 10 10 EGCERO COc1ccc(C[NH2+]C[C@H](C)NC(=O)[C@H](C)c2ccccc2)cc1C ZINC001716460791 1420674296 /nfs/dbraw/zinc/67/42/96/1420674296.db2.gz ZXHPRSCUAJPWHM-DLBZAZTESA-N 1 0 340.467 3.402 10 10 EGCERO COc1ccc(C[NH2+]C2(CNC(=O)[C@@]34C[C@@H]3CCCC4)CC2)cc1C ZINC001716692597 1420845195 /nfs/dbraw/zinc/84/51/95/1420845195.db2.gz ACTVTBIDYLELSQ-UWJYYQICSA-N 1 0 342.483 3.322 10 10 EGCERO COc1ccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)C(C)(C)C2CC2)cc1C ZINC001717425414 1421354552 /nfs/dbraw/zinc/35/45/52/1421354552.db2.gz RKDQCCILQDUNNV-LSDHHAIUSA-N 1 0 332.488 3.423 10 10 EGCERO COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)C2(C3CC3)CC2)cc1C ZINC001725494654 1426173292 /nfs/dbraw/zinc/17/32/92/1426173292.db2.gz JSLCXXUQTYNTQM-HNNXBMFYSA-N 1 0 330.472 3.130 10 10 EGCERO COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)[C@H]2CC=CCC2)cc1C ZINC001734312675 1438042993 /nfs/dbraw/zinc/04/29/93/1438042993.db2.gz GCYLYSPMALQDKR-AEFFLSMTSA-N 1 0 330.472 3.296 10 10 EGCERO CN(C)c1ccc(C[NH2+][C@](C)(CO)Cc2ccc(Cl)cc2)cc1 ZINC001460870673 1126193236 /nfs/dbraw/zinc/19/32/36/1126193236.db2.gz QKRZLBCSXOOUOT-IBGZPJMESA-N 1 0 332.875 3.489 10 10 EGCERO COc1ccccc1C[C@@](C)(CO)[NH2+]Cc1ccc(N(C)C)c(C)c1 ZINC001620537040 1126240933 /nfs/dbraw/zinc/24/09/33/1126240933.db2.gz LEAPJYGZBACIQM-NRFANRHFSA-N 1 0 342.483 3.153 10 10 EGCERO COc1ccc(CC[NH2+]Cc2ccc(N(C)C)c([N+](=O)[O-])c2)cc1 ZINC000034863233 453921293 /nfs/dbraw/zinc/92/12/93/453921293.db2.gz ZDJASAZOZCQUEW-UHFFFAOYSA-N 1 0 329.400 3.002 10 10 EGCERO CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(N3CCCCC3)cc2)[C@H](C)C1 ZINC000084714884 454006430 /nfs/dbraw/zinc/00/64/30/454006430.db2.gz PLEWMJQRXFZMCP-OXQOHEQNSA-N 1 0 329.488 3.023 10 10 EGCERO CCCNC(=O)c1cccc(C[NH2+]Cc2cccc(OCC)c2O)c1 ZINC000060332774 454277434 /nfs/dbraw/zinc/27/74/34/454277434.db2.gz WCJAOWGOJSMFAJ-UHFFFAOYSA-N 1 0 342.439 3.221 10 10 EGCERO CC[NH+]1CCC(CCNC(=O)N(C)Cc2ccc(N(C)C)cc2)CC1 ZINC000074714480 454623987 /nfs/dbraw/zinc/62/39/87/454623987.db2.gz KDQZFAFLROEHTL-UHFFFAOYSA-N 1 0 346.519 3.016 10 10 EGCERO C[C@@H](NC[C@H](O)C[NH+]1CCCCC1)c1ccc(N2CCCCC2)cc1 ZINC000151244318 454958289 /nfs/dbraw/zinc/95/82/89/454958289.db2.gz VIALHGFCRCOJGX-NQIIRXRSSA-N 1 0 345.531 3.174 10 10 EGCERO C[C@H]([NH2+]CC(=O)N(C)Cc1ccc(N(C)C)cc1)c1cccs1 ZINC000171111646 455032007 /nfs/dbraw/zinc/03/20/07/455032007.db2.gz KOPZRWXFSRRBOD-AWEZNQCLSA-N 1 0 331.485 3.123 10 10 EGCERO Cc1cccc(C[N@H+](C)C[C@H](c2cccs2)N2CCOCC2)c1O ZINC000180114678 455134339 /nfs/dbraw/zinc/13/43/39/455134339.db2.gz UPUJPNLRPBYXTH-QGZVFWFLSA-N 1 0 346.496 3.267 10 10 EGCERO C[C@H]([NH2+]C[C@](C)(O)c1ccccc1)c1ccc(N2CCOCC2)cc1 ZINC000264913571 455297299 /nfs/dbraw/zinc/29/72/99/455297299.db2.gz ZVQJMPCZVOOZKJ-UWJYYQICSA-N 1 0 340.467 3.082 10 10 EGCERO COc1ccccc1N1CC[C@@H]([NH2+][C@@H](C)c2cc(F)ccc2O)C1 ZINC000185712401 455603649 /nfs/dbraw/zinc/60/36/49/455603649.db2.gz KFUJRQDSEUQDSV-DZGCQCFKSA-N 1 0 330.403 3.469 10 10 EGCERO C[C@H]([NH2+][C@@H]1CCN(Cc2ccccn2)C[C@@H]1C)c1cc(F)ccc1O ZINC000248499587 455717989 /nfs/dbraw/zinc/71/79/89/455717989.db2.gz MWEQBOKLJBJNGG-YZVOILCLSA-N 1 0 343.446 3.488 10 10 EGCERO C[C@H]([NH2+][C@H]1CCO[C@@H](C2CC2)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000248791799 455731753 /nfs/dbraw/zinc/73/17/53/455731753.db2.gz IWENONGLGCNNIE-GZRFBZBPSA-N 1 0 348.462 3.271 10 10 EGCERO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2ccc(N(C)C)cc2)C12CCOCC2 ZINC000186315290 455740879 /nfs/dbraw/zinc/74/08/79/455740879.db2.gz YJOIUNSFEIGOJS-ZYSHUDEJSA-N 1 0 332.488 3.377 10 10 EGCERO Cc1nc(F)ccc1C[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000278351711 455826994 /nfs/dbraw/zinc/82/69/94/455826994.db2.gz HYJUQWUVLMEFIE-UHFFFAOYSA-N 1 0 343.446 3.028 10 10 EGCERO CC(=O)c1cc(F)cc(C[NH+]2CCC3(CCC(O)CC3)CC2)c1O ZINC000295595695 455854519 /nfs/dbraw/zinc/85/45/19/455854519.db2.gz BVXDZDJRNOYXOU-UHFFFAOYSA-N 1 0 335.419 3.251 10 10 EGCERO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCN(Cc3ccc(F)cc3)C2=O)c1 ZINC000189051109 456212721 /nfs/dbraw/zinc/21/27/21/456212721.db2.gz XCQJMPZRNNMMRP-KBXCAEBGSA-N 1 0 342.414 3.291 10 10 EGCERO CCOc1ccc(O)c(C[NH2+]C[C@@H](c2ccco2)N2CCCC2)c1 ZINC000237075790 456227542 /nfs/dbraw/zinc/22/75/42/456227542.db2.gz HDKFLNRONRNSGH-KRWDZBQOSA-N 1 0 330.428 3.311 10 10 EGCERO C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]Cc1cc(F)ccc1O ZINC000277414937 456817383 /nfs/dbraw/zinc/81/73/83/456817383.db2.gz IPIYQFTWJAVAEF-IUODEOHRSA-N 1 0 338.423 3.266 10 10 EGCERO CCOc1ccc(O)c(C[NH2+][C@H]2CC[C@@H](C(=O)N3CCCCC3)C2)c1 ZINC000373909211 457396219 /nfs/dbraw/zinc/39/62/19/457396219.db2.gz ZSIXOBQWCBRAIZ-WBVHZDCISA-N 1 0 346.471 3.062 10 10 EGCERO CCN(CC)c1ccc(C[NH2+][C@@H]2CCO[C@]3(CCOC3)C2)cc1F ZINC000374268392 457556323 /nfs/dbraw/zinc/55/63/23/457556323.db2.gz GBMZRKFCRIKEDP-VQIMIIECSA-N 1 0 336.451 3.100 10 10 EGCERO COc1cc(O)c(C[N@H+](C)[C@@H](C)[C@@H]2Cc3ccccc3O2)cc1OC ZINC000371469767 457947688 /nfs/dbraw/zinc/94/76/88/457947688.db2.gz GNWCYUUZTPOQBL-UGSOOPFHSA-N 1 0 343.423 3.233 10 10 EGCERO Cc1cc(Cl)cc(C[NH+]2CCC([C@@H](O)c3ncc[nH]3)CC2)c1O ZINC000369143354 458099937 /nfs/dbraw/zinc/09/99/37/458099937.db2.gz LNAJUOPSDUCGIT-MRXNPFEDSA-N 1 0 335.835 3.023 10 10 EGCERO Oc1cc2c(cc1C[NH2+]C[C@H]1CC[C@@H](c3ccccc3)O1)OCO2 ZINC000377780770 458524426 /nfs/dbraw/zinc/52/44/26/458524426.db2.gz SBMQBPPIBCEUHR-WBVHZDCISA-N 1 0 327.380 3.131 10 10 EGCERO COc1cc(Br)cc(C[NH2+][C@@H]2[C@H](C)O[C@H](C)[C@H]2C)c1O ZINC000527806611 459743256 /nfs/dbraw/zinc/74/32/56/459743256.db2.gz YGENNFZAJLBUQV-RBQUTUCGSA-N 1 0 344.249 3.065 10 10 EGCERO CC[C@H]([NH2+][C@H]1CCCN(c2cnn(C)c2)C1)c1ccc(C)cc1O ZINC000365581615 547777502 /nfs/dbraw/zinc/77/75/02/547777502.db2.gz PYHHGUVHNURVTK-YJBOKZPZSA-N 1 0 328.460 3.144 10 10 EGCERO CC[C@H]1C[N@H+](Cc2c(O)c(C(=O)OC)cc3ccccc32)C[C@H](C)O1 ZINC000732186157 575242673 /nfs/dbraw/zinc/24/26/73/575242673.db2.gz YIXDSXSSNGFEAY-ZFWWWQNUSA-N 1 0 343.423 3.331 10 10 EGCERO Oc1ccc(C[NH2+]Cc2ccc(N3CCOCC3)cc2)cc1Cl ZINC000733325704 575327921 /nfs/dbraw/zinc/32/79/21/575327921.db2.gz UYIMQRXTOLOMBO-UHFFFAOYSA-N 1 0 332.831 3.172 10 10 EGCERO Cc1ccc(O)c(C[N@@H+]2C[C@@H]3CC[C@@H](NC(=O)OC(C)(C)C)[C@@H]3C2)c1 ZINC000248569623 1296419973 /nfs/dbraw/zinc/41/99/73/1296419973.db2.gz CJXHEBTXCXOJCX-USXIJHARSA-N 1 0 346.471 3.436 10 10 EGCERO Oc1cccc(Br)c1CN1CCC([NH+]2CCCC2)CC1 ZINC000707164271 1298226145 /nfs/dbraw/zinc/22/61/45/1298226145.db2.gz SBLXSPVBTCYGJI-UHFFFAOYSA-N 1 0 339.277 3.215 10 10 EGCERO C[C@@H]1C[C@]2(CC[C@H](C[NH2+]Cc3ccc(N4CCCCC4)cc3)O2)CO1 ZINC000886333667 1303438659 /nfs/dbraw/zinc/43/86/59/1303438659.db2.gz LYFLJERHCFCKMR-DUXKGJEZSA-N 1 0 344.499 3.493 10 10 EGCERO COc1cc(C)cc(C[NH2+][C@@H](C)c2ccc3c(c2)OCCO3)c1O ZINC000894162132 1306254657 /nfs/dbraw/zinc/25/46/57/1306254657.db2.gz YGQKNSRLKZZEQG-ZDUSSCGKSA-N 1 0 329.396 3.331 10 10 EGCERO COC(=O)c1c(C[NH2+]CCC[C@@H]2CCOC2)c2cc(F)ccc2n1C ZINC000894929446 1309128573 /nfs/dbraw/zinc/12/85/73/1309128573.db2.gz UUJRNGLCLRGZES-CYBMUJFWSA-N 1 0 348.418 3.010 10 10 EGCERO COC(=O)c1c(C[NH2+]C[C@]2(C)CC2(F)F)c2cc(F)ccc2n1C ZINC000895276157 1309268007 /nfs/dbraw/zinc/26/80/07/1309268007.db2.gz USDBJHOYPJNARP-INIZCTEOSA-N 1 0 340.345 3.239 10 10 EGCERO Fc1cc(C[NH+]2CCC3(CCCCO3)CC2)ccc1N1CCOCC1 ZINC000895657595 1309450455 /nfs/dbraw/zinc/45/04/55/1309450455.db2.gz AEKGAJPIYLYYCM-UHFFFAOYSA-N 1 0 348.462 3.197 10 10 EGCERO Oc1c(C[NH2+]C[C@H](O)C(F)(F)C(F)(F)F)ccc2ccccc21 ZINC000895676863 1309460927 /nfs/dbraw/zinc/46/09/27/1309460927.db2.gz DTEXJOWHZHSQGC-LBPRGKRZSA-N 1 0 335.272 3.194 10 10 EGCERO COc1cc(Br)cc(C[N@@H+]2C[C@@H](OC)CC[C@H]2C)c1O ZINC000895945277 1309604984 /nfs/dbraw/zinc/60/49/84/1309604984.db2.gz IPLOWWUFALJCPK-MFKMUULPSA-N 1 0 344.249 3.163 10 10 EGCERO O=C(N[C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1cc2cc(O)c(O)cc2s1 ZINC000898440512 1310736639 /nfs/dbraw/zinc/73/66/39/1310736639.db2.gz VOLJCEYOQJYGSF-STQMWFEESA-N 1 0 346.452 3.059 10 10 EGCERO C[C@H]([NH2+][C@@H]1c2ccccc2CN(C)C1=O)c1cc(Cl)ccc1O ZINC000857875382 1328611710 /nfs/dbraw/zinc/61/17/10/1328611710.db2.gz LXWADKFGYUETTG-APPDUMDISA-N 1 0 330.815 3.410 10 10 EGCERO CC(C)n1ncc2c1C[C@@H]([NH2+]Cc1cc(F)c(N(C)C)cc1F)CC2 ZINC000858159959 1328699328 /nfs/dbraw/zinc/69/93/28/1328699328.db2.gz LOLUDGXRAYLXBM-HNNXBMFYSA-N 1 0 348.441 3.455 10 10 EGCERO CCN(CC)c1ccc(C[NH2+]CC(C)(C)C(=O)N2CCCC2)cc1 ZINC000858293207 1328731305 /nfs/dbraw/zinc/73/13/05/1328731305.db2.gz BZBIKSPTFODLOZ-UHFFFAOYSA-N 1 0 331.504 3.271 10 10 EGCERO Cc1cc(O)c(C[NH2+]CC[C@@H](O)COCc2ccccc2)c(Cl)c1 ZINC000858331412 1328738592 /nfs/dbraw/zinc/73/85/92/1328738592.db2.gz CCSLCEHBKWBBBR-MRXNPFEDSA-N 1 0 349.858 3.411 10 10 EGCERO COC(=O)C1=CC[C@H]([NH2+][C@@H](C)c2cc(Br)ccc2O)C1 ZINC000858473440 1328771038 /nfs/dbraw/zinc/77/10/38/1328771038.db2.gz OBPDLFVPNHMTAH-CABZTGNLSA-N 1 0 340.217 3.067 10 10 EGCERO COc1ccc(N2CCC([NH2+][C@@H]3CC[C@@H]4COCC[C@H]4C3)CC2)cc1 ZINC000921653278 1322371014 /nfs/dbraw/zinc/37/10/14/1322371014.db2.gz AAPLUIQCINOOAK-YQVWRLOYSA-N 1 0 344.499 3.459 10 10 EGCERO COc1ccc(N2CC[C@@H]([NH2+]Cc3c(Cl)n[nH]c3C3CC3)C2)cc1 ZINC000922236961 1322484567 /nfs/dbraw/zinc/48/45/67/1322484567.db2.gz GBUQNKHGPUHAII-CYBMUJFWSA-N 1 0 346.862 3.318 10 10 EGCERO COc1ccc(N2CCC([NH2+][C@H](C3CC3)[C@H]3CCCOC3)CC2)cc1 ZINC000922898421 1322644558 /nfs/dbraw/zinc/64/45/58/1322644558.db2.gz VORUUFIJYFHQCR-LAUBAEHRSA-N 1 0 344.499 3.459 10 10 EGCERO C[C@]1([NH2+]Cc2ccc(N3CCOCC3)cc2)CCOc2ccccc21 ZINC000923026081 1322677784 /nfs/dbraw/zinc/67/77/84/1322677784.db2.gz QVMUSHVZNGPSFW-NRFANRHFSA-N 1 0 338.451 3.311 10 10 EGCERO OCC1CCN(c2ccc(C[NH2+][C@@H]3C[C@H]4C=C[C@@H]3CC4)cc2)CC1 ZINC000924762153 1323149607 /nfs/dbraw/zinc/14/96/07/1323149607.db2.gz YGRBZJQEQMAOOD-LDQXTDLNSA-N 1 0 326.484 3.340 10 10 EGCERO c1cc(N2CCCCC2)ccc1C[NH2+][C@@H]1CCOC12CCOCC2 ZINC000924852865 1323188558 /nfs/dbraw/zinc/18/85/58/1323188558.db2.gz KNQOYVSSQWVVMQ-LJQANCHMSA-N 1 0 330.472 3.105 10 10 EGCERO C[C@@H]([NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1)c1ccns1 ZINC000926559229 1327615709 /nfs/dbraw/zinc/61/57/09/1327615709.db2.gz LEJCDOPAYSPZCC-LLVKDONJSA-N 1 0 339.411 3.109 10 10 EGCERO CCn1nc(C)c([C@H](C)[NH2+][C@H](C)Cc2ccc(N(C)C)cc2C)n1 ZINC000926597336 1327630622 /nfs/dbraw/zinc/63/06/22/1327630622.db2.gz WREIJGKHGBLAIK-CABCVRRESA-N 1 0 329.492 3.263 10 10 EGCERO COc1ccc(N2CC[C@@H]([NH2+][C@@H](C3CC3)C3CCOCC3)C2)cc1 ZINC000926680390 1327662938 /nfs/dbraw/zinc/66/29/38/1327662938.db2.gz MLUCWJMSAKUXGQ-XLIONFOSSA-N 1 0 330.472 3.069 10 10 EGCERO COc1ccc(N2CC[C@@H]([NH2+][C@@H](C)c3cc(O)cc(F)c3)C2)cc1 ZINC000926680450 1327663507 /nfs/dbraw/zinc/66/35/07/1327663507.db2.gz OLDAEPAZDVDFOO-XJKSGUPXSA-N 1 0 330.403 3.469 10 10 EGCERO C[C@H]([NH2+]C[C@H]1C[C@@H]2COC[C@@H]2O1)c1ccc(N2CCCCC2)cc1 ZINC000926946426 1327789541 /nfs/dbraw/zinc/78/95/41/1327789541.db2.gz ULDPGJBLBQBUTC-ZSXHRAQDSA-N 1 0 330.472 3.131 10 10 EGCERO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)c1 ZINC000926989004 1327809101 /nfs/dbraw/zinc/80/91/01/1327809101.db2.gz QPMFTPZCCVQWPO-DZUCGIPZSA-N 1 0 346.471 3.464 10 10 EGCERO O=C(NCc1c(O)cccc1F)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000928710395 1328405828 /nfs/dbraw/zinc/40/58/28/1328405828.db2.gz CWDFGZBSOHQJBN-INIZCTEOSA-N 1 0 342.414 3.060 10 10 EGCERO C[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(Br)c2[O-])CC1(C)C ZINC000862348422 1329476288 /nfs/dbraw/zinc/47/62/88/1329476288.db2.gz MWFBCXNGMPGEJJ-GFCCVEGCSA-N 1 0 327.266 3.117 10 10 EGCERO COC[C@]1(C)C[N@H+](Cc2c3c(ccc2O)oc2c3CCCC2)CCO1 ZINC000863343313 1329548328 /nfs/dbraw/zinc/54/83/28/1329548328.db2.gz UWITVDJHMGCJKY-FQEVSTJZSA-N 1 0 345.439 3.255 10 10 EGCERO COc1ccc(N2CC[C@H]([NH2+]Cc3ccc(C(F)F)nc3)C2)cc1 ZINC000865621968 1329721326 /nfs/dbraw/zinc/72/13/26/1329721326.db2.gz HNNFQVUMEWVAEP-AWEZNQCLSA-N 1 0 333.382 3.396 10 10 EGCERO CN(Cc1cccs1)c1ccc(C[NH2+]CC[C@H](O)C(F)F)cc1 ZINC000865687525 1329729347 /nfs/dbraw/zinc/72/93/47/1329729347.db2.gz GZDYZXISOXDCSN-INIZCTEOSA-N 1 0 340.439 3.490 10 10 EGCERO C[C@H]([NH2+][C@H]1CCN(CC(C)(C)O)C1)c1ccc(N2CCCCC2)cc1 ZINC000866411256 1330108388 /nfs/dbraw/zinc/10/83/88/1330108388.db2.gz HOOZWFKUUBRQPS-HKUYNNGSSA-N 1 0 345.531 3.173 10 10 EGCERO CCOC(=O)c1cc(C[NH2+][C@@H]2C[C@H](C)c3c2c(O)ccc3F)on1 ZINC000866515234 1330120509 /nfs/dbraw/zinc/12/05/09/1330120509.db2.gz DTABZOGOXAGCOZ-JOYOIKCWSA-N 1 0 334.347 3.034 10 10 EGCERO C[C@@H]([NH2+]C[C@H]1CC2(CO1)CCOCC2)c1ccc(Cl)cc1O ZINC000866533333 1330122840 /nfs/dbraw/zinc/12/28/40/1330122840.db2.gz PUFDEASBHFQAAV-TZMCWYRMSA-N 1 0 325.836 3.282 10 10 EGCERO Cc1cc(N(C)C)ccc1CNC(=O)NC1CCC(C)([NH+](C)C)CC1 ZINC000869008574 1330395332 /nfs/dbraw/zinc/39/53/32/1330395332.db2.gz RPLWPPWKLXKVPF-UHFFFAOYSA-N 1 0 346.519 3.123 10 10 EGCERO CN(C)c1ccc(C[NH2+][C@H]2CCN(C)[C@H]2c2ccc(F)cc2)cc1 ZINC001324555715 1387671081 /nfs/dbraw/zinc/67/10/81/1387671081.db2.gz HWJKXEIBHVXXMA-PMACEKPBSA-N 1 0 327.447 3.427 10 10 EGCERO CC[C@@H]1CCC[C@H]1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001134881622 1376765883 /nfs/dbraw/zinc/76/58/83/1376765883.db2.gz BGOPKDBTGCGSRF-LZQZEXGQSA-N 1 0 331.504 3.298 10 10 EGCERO COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)Cc2ccsc2)cc1C ZINC001283566020 1379023593 /nfs/dbraw/zinc/02/35/93/1379023593.db2.gz DKHSMXABWWRKJN-OAHLLOKOSA-N 1 0 346.496 3.244 10 10 EGCERO CC[C@@H](SC)C(=O)N(C)C[C@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001283599375 1379044727 /nfs/dbraw/zinc/04/47/27/1379044727.db2.gz TVDHFDPXMGYZGC-WMLDXEAASA-N 1 0 338.517 3.082 10 10 EGCERO C=C/C(C)=C/CC(=O)N1C[C@H]([NH2+]Cc2ccc(OC)c(C)c2)[C@@H](C)C1 ZINC001327907415 1388621936 /nfs/dbraw/zinc/62/19/36/1388621936.db2.gz WEYIHZGEAOVMIL-GOVSLSRTSA-N 1 0 342.483 3.463 10 10 EGCERO CCc1nc(C)cc(NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)n1 ZINC001164317763 1383177269 /nfs/dbraw/zinc/17/72/69/1383177269.db2.gz HFQABCJHKRJVGV-QGZVFWFLSA-N 1 0 327.476 3.128 10 10 EGCERO O=C(NCc1cc(Cl)ccc1O)c1ccc(C[NH+]2CCCC2)o1 ZINC001165507198 1383304552 /nfs/dbraw/zinc/30/45/52/1383304552.db2.gz BXFHJZCQGALCBW-UHFFFAOYSA-N 1 0 334.803 3.164 10 10 EGCERO C[C@@H]1CCN(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)C[C@@H]1C ZINC001313410053 1384416549 /nfs/dbraw/zinc/41/65/49/1384416549.db2.gz DGSFDVRWTVEOKM-JTDSTZFVSA-N 1 0 346.519 3.043 10 10 EGCERO COc1ccc(N(C)CC[N@H+](C)C[C@@H](O)c2cccc(C)c2)cc1 ZINC001171729616 1384616152 /nfs/dbraw/zinc/61/61/52/1384616152.db2.gz MFGQAHWBUVKLSV-HXUWFJFHSA-N 1 0 328.456 3.105 10 10 EGCERO COc1ccc(N(C)CC[N@H+](C)CCOc2cccc(OC)c2)cc1 ZINC001171730840 1384617392 /nfs/dbraw/zinc/61/73/92/1384617392.db2.gz ZMSHWQAHAPLSEZ-UHFFFAOYSA-N 1 0 344.455 3.151 10 10 EGCERO COc1ccc(C[NH2+][C@H](C)CNC(=O)C2(C(C)(F)F)CC2)cc1C ZINC001317266491 1385036020 /nfs/dbraw/zinc/03/60/20/1385036020.db2.gz XBXLJTRRPGHVBE-CYBMUJFWSA-N 1 0 340.414 3.033 10 10 EGCERO CN1CCN(c2ccc(C[N@H+](C)C[C@@H]3CC=CCC3)cc2F)CC1 ZINC001320208220 1386558282 /nfs/dbraw/zinc/55/82/82/1386558282.db2.gz GYTWPNYSSJWESY-QGZVFWFLSA-N 1 0 331.479 3.366 10 10 EGCERO Cc1cc(CCNC(=O)C[NH2+]C(C)(C)C)c(C)n1-c1ccccc1 ZINC001329208350 1389023564 /nfs/dbraw/zinc/02/35/64/1389023564.db2.gz VCRDAFONYCUWJI-UHFFFAOYSA-N 1 0 327.472 3.141 10 10 EGCERO Oc1cccc(Br)c1C[NH+]1CC(CC2CCOCC2)C1 ZINC001332724646 1390170556 /nfs/dbraw/zinc/17/05/56/1390170556.db2.gz NETOUWCXJJZOHP-UHFFFAOYSA-N 1 0 340.261 3.403 10 10 EGCERO COc1ccc(C[NH2+][C@H]2C[C@@H](CNC(=O)CCC3CC3)C2)cc1C ZINC001479287016 1392205654 /nfs/dbraw/zinc/20/56/54/1392205654.db2.gz OHKHIKBXIBGVMW-HDICACEKSA-N 1 0 330.472 3.178 10 10 EGCERO COc1ccc(C[NH2+][C@H](C)CCNC(=O)[C@H](C)C(F)(F)F)cc1C ZINC001480785653 1392931969 /nfs/dbraw/zinc/93/19/69/1392931969.db2.gz MLVVUPYMVRPVNE-OLZOCXBDSA-N 1 0 346.393 3.186 10 10 EGCERO CCCC[N@H+](C)C[C@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001481510474 1394358657 /nfs/dbraw/zinc/35/86/57/1394358657.db2.gz WSEWZNKAGBCLFB-CQSZACIVSA-N 1 0 345.447 3.043 10 10 EGCERO C[C@@H]1CCC(C)(C)N1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001687807807 1396498997 /nfs/dbraw/zinc/49/89/97/1396498997.db2.gz VZLPTJNENCZNPQ-QAPCUYQASA-N 1 0 346.519 3.328 10 10 EGCERO COc1ccc(C[NH2+]C[C@H](CC(C)C)NC(=O)[C@H]2C[C@@H]2C)cc1C ZINC001496284491 1396630938 /nfs/dbraw/zinc/63/09/38/1396630938.db2.gz IRGIYZVRDWBOCA-WBAXXEDZSA-N 1 0 332.488 3.280 10 10 EGCERO COc1ccc(C[NH2+][C@@H](CNC(=O)C2CC(C)(C)C2)C2CC2)cc1C ZINC001690149107 1404348241 /nfs/dbraw/zinc/34/82/41/1404348241.db2.gz DUIDTZLYGGNTAW-SFHVURJKSA-N 1 0 344.499 3.424 10 10 EGCERO CCC[NH2+]CC[C@H]1CCCCN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001732514908 1428633571 /nfs/dbraw/zinc/63/35/71/1428633571.db2.gz BOUFJXSBGYAXPM-MRXNPFEDSA-N 1 0 345.447 3.233 10 10 EGCERO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)cc1C ZINC001699363391 1412669975 /nfs/dbraw/zinc/66/99/75/1412669975.db2.gz QONRGQXQZNWASO-ZAWLATJESA-N 1 0 342.483 3.200 10 10 EGCERO CC/C=C/CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001699642284 1413021808 /nfs/dbraw/zinc/02/18/08/1413021808.db2.gz MXCFVAYQNWKCMY-WBMVNBJRSA-N 1 0 343.431 3.009 10 10 EGCERO COc1ccc(C[NH2+]C2(CNC(=O)C3CCC(F)CC3)CC2)cc1C ZINC001699664041 1413048868 /nfs/dbraw/zinc/04/88/68/1413048868.db2.gz UQADSTMKVBMJMK-UHFFFAOYSA-N 1 0 348.462 3.270 10 10 EGCERO COc1ccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)C2(C)CC=CC2)cc1C ZINC001700423289 1413974838 /nfs/dbraw/zinc/97/48/38/1413974838.db2.gz VXMNNMLMEFULTG-JKSUJKDBSA-N 1 0 330.472 3.343 10 10 EGCERO COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)c2cocc2C)cc1C ZINC001700760843 1414433247 /nfs/dbraw/zinc/43/32/47/1414433247.db2.gz SDOHPWTXYSNNCJ-OAHLLOKOSA-N 1 0 330.428 3.155 10 10 EGCERO COc1ccc(C[NH2+]C[C@@H]2CCC[C@@H]2NC(=O)C=C(C)C)cc1C ZINC001732611416 1428872333 /nfs/dbraw/zinc/87/23/33/1428872333.db2.gz WDACMWARNDMLAR-ROUUACIJSA-N 1 0 330.472 3.344 10 10 EGCERO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)C[C@@H](C)n2cccc2)cc1C ZINC001732979383 1429105447 /nfs/dbraw/zinc/10/54/47/1429105447.db2.gz WIBCHFZEXOOEMJ-IAGOWNOFSA-N 1 0 343.471 3.051 10 10 EGCERO CC/C(C)=C\C(=O)N1CC[C@H](C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001713341585 1417964281 /nfs/dbraw/zinc/96/42/81/1417964281.db2.gz KURADTSCMGMBFY-QWSHFYNQSA-N 1 0 330.472 3.298 10 10 EGCERO COc1ccc(C[NH2+]CCCN(C)C(=O)c2occc2C)cc1C ZINC001733085764 1429237311 /nfs/dbraw/zinc/23/73/11/1429237311.db2.gz KAPYYZBVELVHAK-UHFFFAOYSA-N 1 0 330.428 3.157 10 10 EGCERO COc1ccc(C[NH2+][C@H](C)CNC(=O)c2cccc(C)c2F)cc1C ZINC001714236558 1419026792 /nfs/dbraw/zinc/02/67/92/1419026792.db2.gz ZUDNAHJMCOTHHE-OAHLLOKOSA-N 1 0 344.430 3.359 10 10 EGCERO CCCCCC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001733233766 1429371065 /nfs/dbraw/zinc/37/10/65/1429371065.db2.gz FNHHDOYDXNOZMT-INIZCTEOSA-N 1 0 345.447 3.233 10 10 EGCERO COc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)C(C)(C)C2CC2)cc1C ZINC001715356530 1420055836 /nfs/dbraw/zinc/05/58/36/1420055836.db2.gz MEFNRWDBAMUPGT-OAHLLOKOSA-N 1 0 332.488 3.376 10 10 EGCERO COc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H](C)C(C)(F)F)cc1C ZINC001715366051 1420062766 /nfs/dbraw/zinc/06/27/66/1420062766.db2.gz UMGDESDVSHIMLZ-ZIAGYGMSSA-N 1 0 342.430 3.231 10 10 EGCERO COc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)[C@@H](C)C(C)(F)F)cc1C ZINC001715366050 1420063052 /nfs/dbraw/zinc/06/30/52/1420063052.db2.gz UMGDESDVSHIMLZ-UONOGXRCSA-N 1 0 342.430 3.231 10 10 EGCERO CCN(CC[NH2+]Cc1ccc(OC)c(C)c1)C(=O)[C@@H]1CC[C@@H](F)C1 ZINC001715752721 1420325903 /nfs/dbraw/zinc/32/59/03/1420325903.db2.gz SVRXLEYDHWBPIJ-IAGOWNOFSA-N 1 0 336.451 3.080 10 10 EGCERO CCN(CC[NH2+]Cc1ccc(OC)c(C)c1)C(=O)C[C@H]1C=CCC1 ZINC001716206133 1420565864 /nfs/dbraw/zinc/56/58/64/1420565864.db2.gz VYFVQLQRXLALBU-KRWDZBQOSA-N 1 0 330.472 3.298 10 10 EGCERO COc1ccc(C[NH2+]CCCN(C)C(=O)[C@@H](C)C(C)(F)F)cc1C ZINC001716568478 1420763427 /nfs/dbraw/zinc/76/34/27/1420763427.db2.gz MJBVVMZYQZLKIT-CQSZACIVSA-N 1 0 342.430 3.233 10 10 EGCERO COc1ccc(C[NH2+]CC[C@@H]2CCN(C(=O)CCCF)C2)cc1C ZINC001717094097 1421106631 /nfs/dbraw/zinc/10/66/31/1421106631.db2.gz WEHBPTDBMVFXNB-MRXNPFEDSA-N 1 0 336.451 3.082 10 10 EGCERO C[C@@H](NC(=O)c1ccc(N=NC(N)=O)cc1)[C@@H](C)[NH2+]CCC(C)(C)C ZINC001717440643 1421369746 /nfs/dbraw/zinc/36/97/46/1421369746.db2.gz DRFCBKNFHHGRNT-CHWSQXEVSA-N 1 0 347.463 3.382 10 10 EGCERO COc1ccc(C[NH2+][C@H](C)CNC(=O)C[C@@H](C)n2cccc2)cc1C ZINC001731632375 1427685339 /nfs/dbraw/zinc/68/53/39/1427685339.db2.gz HEFBSMVNQQZEMT-IAGOWNOFSA-N 1 0 343.471 3.051 10 10 EGCERO COc1ccc(C[NH2+][C@H](CCNC(=O)C(C)(C)F)C(C)C)cc1C ZINC001734284111 1438012018 /nfs/dbraw/zinc/01/20/18/1438012018.db2.gz BRQXXDVTRYHKKY-MRXNPFEDSA-N 1 0 338.467 3.372 10 10 EGCERO C=C/C(C)=C/CC(=O)N(C)C[C@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001734338127 1438059414 /nfs/dbraw/zinc/05/94/14/1438059414.db2.gz GQNNJKXJXGORDS-BXUGYJKXSA-N 1 0 330.472 3.463 10 10 EGCERO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2ccc(OC)c(C)c2)cc1 ZINC001656289195 1126256801 /nfs/dbraw/zinc/25/68/01/1126256801.db2.gz NFKQKOJOOYTLNB-FQEVSTJZSA-N 1 0 329.440 3.096 10 10 EGCERO Cc1cc(NC(=O)C2CC[NH+](Cc3cc(C)c(C)cc3O)CC2)no1 ZINC000054359127 214233456 /nfs/dbraw/zinc/23/34/56/214233456.db2.gz QRDBHJDJIKBUSC-UHFFFAOYSA-N 1 0 343.427 3.156 10 10 EGCERO O=C1CCCN1C[C@H]([NH2+]Cc1ccc2c(c1)CCO2)c1ccccc1 ZINC000054175653 284790912 /nfs/dbraw/zinc/79/09/12/284790912.db2.gz VBFQZPPAOBFZDR-IBGZPJMESA-N 1 0 336.435 3.075 10 10 EGCERO Cc1ccc(C[NH2+]Cc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)s1 ZINC000054179233 132190172 /nfs/dbraw/zinc/19/01/72/132190172.db2.gz MORKYXGHGTYMOH-MRXNPFEDSA-N 1 0 343.496 3.048 10 10 EGCERO COc1cc(O)c(C[N@@H+]2CCC[C@@H](c3nccs3)C2)cc1OC ZINC000160077029 455426612 /nfs/dbraw/zinc/42/66/12/455426612.db2.gz SUHRVWBPYMBRTQ-GFCCVEGCSA-N 1 0 334.441 3.246 10 10 EGCERO Cn1cc([C@H]2CCC[N@@H+]2Cc2cc(Br)ccc2O)cn1 ZINC000131804168 454288538 /nfs/dbraw/zinc/28/85/38/454288538.db2.gz KVCQLZOGJBKUCJ-CQSZACIVSA-N 1 0 336.233 3.225 10 10 EGCERO CCCOc1ccc(C[NH+]2CCC(OC[C@@H]3CCCO3)CC2)c(O)c1 ZINC000092662253 454605398 /nfs/dbraw/zinc/60/53/98/454605398.db2.gz RZLZILUVVXYWRW-IBGZPJMESA-N 1 0 349.471 3.341 10 10 EGCERO Cc1cc(O)c(C[N@@H+]2CCCN(Cc3cscn3)CC2)cc1C ZINC000093015986 454671635 /nfs/dbraw/zinc/67/16/35/454671635.db2.gz HRJDHFBJFOBVED-UHFFFAOYSA-N 1 0 331.485 3.173 10 10 EGCERO COc1cccc(C[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCO3)c1O ZINC000093048793 454675086 /nfs/dbraw/zinc/67/50/86/454675086.db2.gz GKRBOZRGBQMIRW-OAHLLOKOSA-N 1 0 327.380 3.467 10 10 EGCERO CCOc1cccc(C[N@H+](C)[C@H]2CCN(c3ccccc3)C2=O)c1O ZINC000093104492 454682963 /nfs/dbraw/zinc/68/29/63/454682963.db2.gz MVENIEFKQFNKTM-KRWDZBQOSA-N 1 0 340.423 3.028 10 10 EGCERO C[C@H]1C[C@H]([N@H+](C)Cc2cc(Br)ccc2O)CCN1C ZINC000093643631 454725275 /nfs/dbraw/zinc/72/52/75/454725275.db2.gz UIHQMVVLLSKSJG-SMDDNHRTSA-N 1 0 327.266 3.069 10 10 EGCERO CC[C@@H]([NH2+][C@H]1CCCN(c2cnn(C)c2)C1)c1ccc(N(C)C)cc1 ZINC000166557613 454913669 /nfs/dbraw/zinc/91/36/69/454913669.db2.gz FEXBHXGMNQSYQH-FXAWDEMLSA-N 1 0 341.503 3.196 10 10 EGCERO CC[C@H]([NH2+][C@H]1CCCN(c2ncccn2)C1)c1ccc(N(C)C)cc1 ZINC000178193013 454942435 /nfs/dbraw/zinc/94/24/35/454942435.db2.gz NPDSPNASXPEENB-HKUYNNGSSA-N 1 0 339.487 3.252 10 10 EGCERO C[C@@H]([NH2+][C@H]1CCc2ncnn2C1)c1ccc(N2CCCCCC2)cc1 ZINC000180602623 455206153 /nfs/dbraw/zinc/20/61/53/455206153.db2.gz WLBSBZBIVXTUDI-AEFFLSMTSA-N 1 0 339.487 3.324 10 10 EGCERO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCN(c3ncccc3Cl)C2)c1 ZINC000185718502 455604307 /nfs/dbraw/zinc/60/43/07/455604307.db2.gz CLQVMGMRXQLNRW-QWHCGFSZSA-N 1 0 347.846 3.379 10 10 EGCERO Cc1cc(N2CCC[C@H]([NH2+][C@H](C)c3ccc(N(C)C)cc3)C2)n(C)n1 ZINC000278165184 455775761 /nfs/dbraw/zinc/77/57/61/455775761.db2.gz ASEFNVPZWLZYOT-AEFFLSMTSA-N 1 0 341.503 3.114 10 10 EGCERO CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000294882752 455831430 /nfs/dbraw/zinc/83/14/30/455831430.db2.gz QVTPJQAFFZJEMM-GOSISDBHSA-N 1 0 343.496 3.095 10 10 EGCERO Cc1cc(N2CCC[C@H]([NH2+][C@@H](C)c3cc(Cl)ccc3O)C2)n(C)n1 ZINC000278480687 455837488 /nfs/dbraw/zinc/83/74/88/455837488.db2.gz OSPWJZXILRKXMK-ZFWWWQNUSA-N 1 0 348.878 3.407 10 10 EGCERO CNC(=O)C1CCC([NH2+][C@@H](C)c2cc3c(cc2O)CCCC3)CC1 ZINC000273361019 456225643 /nfs/dbraw/zinc/22/56/43/456225643.db2.gz AHBIIQGJPZYHTM-CBCUQQMYSA-N 1 0 330.472 3.226 10 10 EGCERO Oc1ccc(F)cc1C[N@@H+]1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000282256409 456456974 /nfs/dbraw/zinc/45/69/74/456456974.db2.gz BQAUYUUJEFEVEB-AWEZNQCLSA-N 1 0 329.419 3.444 10 10 EGCERO CCN(C)c1ccc([C@H](C)[NH2+]C[C@H]2CCC3(CCOCC3)[C@H]2O)cc1 ZINC000282978838 456681262 /nfs/dbraw/zinc/68/12/62/456681262.db2.gz DPZFOCNXXNAADO-HQRMLTQVSA-N 1 0 346.515 3.361 10 10 EGCERO Cc1cccc(C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)c1O ZINC000277368902 456797197 /nfs/dbraw/zinc/79/71/97/456797197.db2.gz FPQQKGMTUJXRBU-HOCLYGCPSA-N 1 0 334.460 3.436 10 10 EGCERO C[C@H]([NH2+][C@@H]1CCc2nc[nH]c2C1)c1cc(Br)ccc1O ZINC000368102873 458010795 /nfs/dbraw/zinc/01/07/95/458010795.db2.gz QGTNJRGRJSWWQA-GXSJLCMTSA-N 1 0 336.233 3.086 10 10 EGCERO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCN(c3cnn(C)c3)C2)c(O)c1C ZINC000368316222 458025922 /nfs/dbraw/zinc/02/59/22/458025922.db2.gz OHGYDCZZMUNPLW-HZPDHXFCSA-N 1 0 328.460 3.062 10 10 EGCERO CC1(C)C[N@H+](Cc2ccc(N3CCCCC3)cc2)C[C@@]2(CCOC2)O1 ZINC000376021820 458166286 /nfs/dbraw/zinc/16/62/86/458166286.db2.gz PVBMTBDLDUUFKW-OAQYLSRUSA-N 1 0 344.499 3.447 10 10 EGCERO CC[C@@H]1C[N@H+](Cc2cc(Cl)cc(C)c2O)C[C@]2(CCOC2)O1 ZINC000373484808 458506890 /nfs/dbraw/zinc/50/68/90/458506890.db2.gz YDOYLCVEKJNDPN-WBVHZDCISA-N 1 0 325.836 3.124 10 10 EGCERO Cc1cc(C)c(C(=O)NC2CC[NH+](Cc3cc(F)ccc3O)CC2)o1 ZINC000527589027 459666280 /nfs/dbraw/zinc/66/62/80/459666280.db2.gz WQRSRSBLYCUXBL-UHFFFAOYSA-N 1 0 346.402 3.136 10 10 EGCERO COc1cc(Br)cc(C[NH2+]CC[C@H]2CCCOC2)c1O ZINC000527735794 459718423 /nfs/dbraw/zinc/71/84/23/459718423.db2.gz CNXZXRFVVXRAEE-LLVKDONJSA-N 1 0 344.249 3.070 10 10 EGCERO COC(=O)c1cc2ccccc2c(C[N@@H+]2CCSC[C@H]2C)c1O ZINC000738280153 576309835 /nfs/dbraw/zinc/30/98/35/576309835.db2.gz ZWMUXQWWFKZWBI-GFCCVEGCSA-N 1 0 331.437 3.269 10 10 EGCERO C[N@@H+]1CCC[C@@H](CNC(=O)C2=CC(=O)CS2)[C@@H]1c1cccs1 ZINC000743567315 576812326 /nfs/dbraw/zinc/81/23/26/576812326.db2.gz OUULBIOEZSYBRY-XHDPSFHLSA-N 1 0 336.482 3.328 10 10 EGCERO C[N@H+](Cc1cc2c(cc1O)CCC2)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000744438936 576828394 /nfs/dbraw/zinc/82/83/94/576828394.db2.gz UUYGHWIZHYEHBX-KRWDZBQOSA-N 1 0 346.471 3.322 10 10 EGCERO c1cc(N2CCCCC2)ccc1C[NH2+]C1CCC2(CC1)OCCO2 ZINC000069709776 1292249435 /nfs/dbraw/zinc/24/94/35/1292249435.db2.gz SVKDNAOMOHPFIC-UHFFFAOYSA-N 1 0 330.472 3.452 10 10 EGCERO COc1cc(Br)cc(C[NH+]2C[C@@H]3CCC[C@H]3C2)c1O ZINC000093443000 1292920374 /nfs/dbraw/zinc/92/03/74/1292920374.db2.gz GPVBUGTXOBMUPH-QWRGUYRKSA-N 1 0 326.234 3.395 10 10 EGCERO CC[NH+](CC)C[C@H](O)CNc1ccccc1OCc1ccccc1 ZINC000383225750 1297568084 /nfs/dbraw/zinc/56/80/84/1297568084.db2.gz BBEXLYJLAUYEDS-GOSISDBHSA-N 1 0 328.456 3.380 10 10 EGCERO CC[C@@H]1C[C@@H]([NH2+]Cc2c3cc(F)ccc3n(C)c2C(=O)OC)CCO1 ZINC000895033457 1309165235 /nfs/dbraw/zinc/16/52/35/1309165235.db2.gz ALDLUWLZYSRIJV-UONOGXRCSA-N 1 0 348.418 3.151 10 10 EGCERO COc1cccc(CN(c2ccccn2)[C@H]2CC[C@H]([NH3+])CC2)c1O ZINC000895111051 1309195203 /nfs/dbraw/zinc/19/52/03/1309195203.db2.gz JJZWBJMVZPITPD-WKILWMFISA-N 1 0 327.428 3.072 10 10 EGCERO Fc1cc(C[NH2+]Cc2cnc(Cl)s2)ccc1N1CCOCC1 ZINC000895155391 1309215689 /nfs/dbraw/zinc/21/56/89/1309215689.db2.gz DEMMPZKEEFDDQF-UHFFFAOYSA-N 1 0 341.839 3.062 10 10 EGCERO Oc1cc(Br)ccc1C[NH+]1CC(CC2CCOCC2)C1 ZINC000895615069 1309430999 /nfs/dbraw/zinc/43/09/99/1309430999.db2.gz HBGRLSUQQZESFQ-UHFFFAOYSA-N 1 0 340.261 3.403 10 10 EGCERO O=C(c1cc2cc(O)c(O)cc2s1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000895795564 1309524739 /nfs/dbraw/zinc/52/47/39/1309524739.db2.gz ARGZCFCDTIWQIV-CYBMUJFWSA-N 1 0 346.452 3.013 10 10 EGCERO C[NH+](C)CCN(C(=O)c1cc2cc(O)c(O)cc2s1)C1CCCC1 ZINC000896985491 1310121615 /nfs/dbraw/zinc/12/16/15/1310121615.db2.gz KHDYDBPQLRIPQI-UHFFFAOYSA-N 1 0 348.468 3.259 10 10 EGCERO C[C@@H](CCNC(=O)c1cc2cc(O)c(O)cc2s1)[NH+]1CCCCC1 ZINC000897376250 1310313430 /nfs/dbraw/zinc/31/34/30/1310313430.db2.gz RNYJOWHFSUMIGA-LBPRGKRZSA-N 1 0 348.468 3.307 10 10 EGCERO CCN(C)c1ccc(C[N@@H+]2CC[C@@H](Oc3ccc(C)cn3)C2)cc1 ZINC000858039832 1328668641 /nfs/dbraw/zinc/66/86/41/1328668641.db2.gz JXUGQKWFGLQFBF-LJQANCHMSA-N 1 0 325.456 3.499 10 10 EGCERO CN(C)c1cc(F)c(C[NH2+][C@@H]2CCCc3[nH]c(=O)ccc32)cc1F ZINC000858115503 1328686486 /nfs/dbraw/zinc/68/64/86/1328686486.db2.gz KWNNCBVXPWBVCD-OAHLLOKOSA-N 1 0 333.382 3.299 10 10 EGCERO C[C@H](O)[C@@H]([NH2+]Cc1c(O)cccc1Br)c1ccccc1 ZINC000858195736 1328708974 /nfs/dbraw/zinc/70/89/74/1328708974.db2.gz AQWMSZLEIHDSJM-MEDUHNTESA-N 1 0 336.229 3.366 10 10 EGCERO Cc1ccc(O)c(C[NH2+]C[C@H]2CN(c3ccc(Cl)cc3)CCO2)c1 ZINC000858245767 1328720957 /nfs/dbraw/zinc/72/09/57/1328720957.db2.gz WZEVDSRCBLASSW-SFHVURJKSA-N 1 0 346.858 3.349 10 10 EGCERO COc1ncc(Br)cc1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000858248813 1328722347 /nfs/dbraw/zinc/72/23/47/1328722347.db2.gz CRDUZQFUTVGHFB-UHFFFAOYSA-N 1 0 349.228 3.077 10 10 EGCERO C[C@H]([NH2+][C@@H]1[C@H](C)O[C@H](C)[C@H]1C)c1ccc(N2CCOCC2)c(F)c1 ZINC000858529710 1328789278 /nfs/dbraw/zinc/78/92/78/1328789278.db2.gz OLSUONJTTLNALI-GELUBGBASA-N 1 0 336.451 3.125 10 10 EGCERO c1cc2c(cc1C[NH2+]C[C@@H]1CCC3(CCOCC3)CO1)CCCO2 ZINC000922329540 1322503066 /nfs/dbraw/zinc/50/30/66/1322503066.db2.gz GOQSQCVETNOMSL-SFHVURJKSA-N 1 0 331.456 3.077 10 10 EGCERO CN(Cc1cccs1)c1ccc(C[NH2+]CC[C@H]2CNC(=O)C2)cc1 ZINC000922777746 1322615310 /nfs/dbraw/zinc/61/53/10/1322615310.db2.gz AFMVKADCDSXXCQ-MRXNPFEDSA-N 1 0 343.496 3.000 10 10 EGCERO COc1ccc(C[NH2+][C@@H]2CCS[C@@H](C)C2)cc1Cn1cccn1 ZINC000922834974 1322629454 /nfs/dbraw/zinc/62/94/54/1322629454.db2.gz WUWVYPBFYDJKGE-WMLDXEAASA-N 1 0 331.485 3.314 10 10 EGCERO CC(C)[C@@H]1COCC[C@@H]1[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000924759016 1323148350 /nfs/dbraw/zinc/14/83/50/1323148350.db2.gz DTDOUIVXQGIUSO-SFTDATJTSA-N 1 0 346.515 3.046 10 10 EGCERO OC1CCN(c2ccc(C[NH2+][C@@H]3CC4CCC3CC4)cc2F)CC1 ZINC000924759379 1323148414 /nfs/dbraw/zinc/14/84/14/1323148414.db2.gz ILPRFVDXDQJZSU-GSQSYGFSSA-N 1 0 332.463 3.455 10 10 EGCERO C[C@H]([NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C(C)(C)CO ZINC000925163026 1325070023 /nfs/dbraw/zinc/07/00/23/1325070023.db2.gz YXXFJNYHACPRRC-UONOGXRCSA-N 1 0 342.430 3.253 10 10 EGCERO C[C@H]1[C@@H](NC(=O)N(Cc2ccccc2O)C2CCCCC2)CC[N@@H+]1C ZINC000925326071 1325124045 /nfs/dbraw/zinc/12/40/45/1325124045.db2.gz UKZVQRXNWRYXRT-YJBOKZPZSA-N 1 0 345.487 3.329 10 10 EGCERO COc1ccc(N2CC[C@H](C[NH2+][C@@H](C3CC3)C3CCOCC3)C2)cc1 ZINC000926612307 1327634247 /nfs/dbraw/zinc/63/42/47/1327634247.db2.gz OKBOMMIGKXLFBL-IERDGZPVSA-N 1 0 344.499 3.316 10 10 EGCERO Cc1cc(N(C)C)ccc1C[NH2+]C[C@@H](n1cccn1)C(F)(F)F ZINC000862435084 1329486801 /nfs/dbraw/zinc/48/68/01/1329486801.db2.gz MXGYAGDGPKLYPN-OAHLLOKOSA-N 1 0 326.366 3.151 10 10 EGCERO C[C@@H](N[C@H]1CC[NH2+]C12CCC2)c1ccc(N2CCOCC2)cc1Cl ZINC000863540549 1329562085 /nfs/dbraw/zinc/56/20/85/1329562085.db2.gz BOZMVTZOAPZINR-KDOFPFPSSA-N 1 0 349.906 3.112 10 10 EGCERO Cc1cc(Br)cc([C@H](C)N[C@H]2CC[C@@H](C)[NH2+]C2)c1O ZINC000863546612 1329562394 /nfs/dbraw/zinc/56/23/94/1329562394.db2.gz LQPKQFXOYMGJKJ-MDZLAQPJSA-N 1 0 327.266 3.254 10 10 EGCERO OC[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)c1cccc(C(F)(F)F)c1 ZINC000865654624 1329725621 /nfs/dbraw/zinc/72/56/21/1329725621.db2.gz SNJMVQDYXUZBQK-MRXNPFEDSA-N 1 0 337.341 3.464 10 10 EGCERO C[C@H](NC(=O)NCCCC[N@@H+]1CCCC[C@@H]1C)c1ccccc1O ZINC000868103255 1330249706 /nfs/dbraw/zinc/24/97/06/1330249706.db2.gz QJCQLLCMNXUZEF-HOTGVXAUSA-N 1 0 333.476 3.407 10 10 EGCERO C[C@@H]([NH2+][C@H](C(N)=O)c1ccc(Br)cc1)c1ccccc1O ZINC001197003903 1368729229 /nfs/dbraw/zinc/72/92/29/1368729229.db2.gz MPFVSODFNXKRCC-BMIGLBTASA-N 1 0 349.228 3.032 10 10 EGCERO c1cc(N2CCOCC2)ccc1C[N@@H+]1CCCC[C@@H]1[C@H]1CCCO1 ZINC001198685545 1369091250 /nfs/dbraw/zinc/09/12/50/1369091250.db2.gz MJKLJDFMGXBNGH-WOJBJXKFSA-N 1 0 330.472 3.057 10 10 EGCERO C[C@@H]1CC[C@@H](CC(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)C1 ZINC001134686378 1376658406 /nfs/dbraw/zinc/65/84/06/1376658406.db2.gz IPUPEXTVKIUVNA-GPMSIDNRSA-N 1 0 331.504 3.298 10 10 EGCERO C[C@@H]1CCC[C@]1(C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001134881805 1376765538 /nfs/dbraw/zinc/76/55/38/1376765538.db2.gz HUYFBLQIYAHXGX-ZTNFWEORSA-N 1 0 331.504 3.298 10 10 EGCERO C[C@@H]1CCC[C@]1(C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001134881802 1376765672 /nfs/dbraw/zinc/76/56/72/1376765672.db2.gz HUYFBLQIYAHXGX-BPAFIMBUSA-N 1 0 331.504 3.298 10 10 EGCERO Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2CC[C@H]3C[N@@H+](C)C[C@@H]32)cc1 ZINC001135240928 1376996939 /nfs/dbraw/zinc/99/69/39/1376996939.db2.gz OMMQUBBFPIZUNI-YSIASYRMSA-N 1 0 337.467 3.164 10 10 EGCERO COc1ccc(C[NH2+][C@H](C)CCNC(=O)c2ccncc2C)cc1C ZINC001266143147 1377205086 /nfs/dbraw/zinc/20/50/86/1377205086.db2.gz CSFKZGWYCGIRGE-MRXNPFEDSA-N 1 0 341.455 3.005 10 10 EGCERO CC[C@H](C)C[N@H+](CCNC(=O)c1ccc(N=NC(N)=O)cc1)C1CC1 ZINC001267338469 1377442379 /nfs/dbraw/zinc/44/23/79/1377442379.db2.gz XPAREIHJHRUGCY-ZDUSSCGKSA-N 1 0 345.447 3.089 10 10 EGCERO COc1ccc(C[NH2+]C[C@H](C)NC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)cc1C ZINC001275163774 1378136336 /nfs/dbraw/zinc/13/63/36/1378136336.db2.gz QONRGQXQZNWASO-OGWHTMIXSA-N 1 0 342.483 3.200 10 10 EGCERO Cc1cc(CC(=O)NC[C@H](C2CC2)[NH+](C)C)c(C)n1-c1ccccc1 ZINC001141937894 1378396137 /nfs/dbraw/zinc/39/61/37/1378396137.db2.gz PCKNAAUSJVQGJP-HXUWFJFHSA-N 1 0 339.483 3.093 10 10 EGCERO COc1ccc(C[NH2+]CCC[C@H](C)NC(=O)C2CC(C)C2)cc1C ZINC001283152882 1378746950 /nfs/dbraw/zinc/74/69/50/1378746950.db2.gz XQMGYRBKOQCFHY-HQVVEAJESA-N 1 0 332.488 3.424 10 10 EGCERO Cc1cc(CC(=O)NCC[N@H+]2CC=CCC2)c(C)n1-c1ccccc1 ZINC001156479403 1380581537 /nfs/dbraw/zinc/58/15/37/1380581537.db2.gz MXJAIAVCDAMBDH-UHFFFAOYSA-N 1 0 337.467 3.015 10 10 EGCERO Cc1cncnc1N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC001162438478 1382759014 /nfs/dbraw/zinc/75/90/14/1382759014.db2.gz XGLIHGUPONMIDB-OAHLLOKOSA-N 1 0 332.835 3.221 10 10 EGCERO Cc1ccc(O)c2c1[C@@H](C)C[C@H]2[NH2+]Cc1ccc2oc(=O)n(C)c2c1 ZINC001328799036 1388869593 /nfs/dbraw/zinc/86/95/93/1388869593.db2.gz IHFCZAVRUBVQDS-GXTWGEPZSA-N 1 0 338.407 3.484 10 10 EGCERO COc1ccc(N2CC[NH+](C[C@@H]3CCCC4(CCC4)O3)CC2)cc1F ZINC001168067845 1383809728 /nfs/dbraw/zinc/80/97/28/1383809728.db2.gz LOYBYIKTQSFTTA-KRWDZBQOSA-N 1 0 348.462 3.448 10 10 EGCERO CC[C@H](C)[C@H](C)[NH+]1CCN(c2cc(OC)c(OC)c(OC)c2)CC1 ZINC001169072469 1384103330 /nfs/dbraw/zinc/10/33/30/1384103330.db2.gz JNEBJPNEOGXROX-GJZGRUSLSA-N 1 0 336.476 3.269 10 10 EGCERO CN(C)c1ccc(CNC(=O)C[NH2+][C@H]2CCCCC23CCCC3)cc1 ZINC001170535366 1384336846 /nfs/dbraw/zinc/33/68/46/1384336846.db2.gz HKZSIDNZHQGMGQ-IBGZPJMESA-N 1 0 343.515 3.461 10 10 EGCERO COc1ccc(C[NH2+][C@@H](CNC(=O)[C@@]2(C)C=CCC2)C2CC2)cc1C ZINC001317026085 1384792935 /nfs/dbraw/zinc/79/29/35/1384792935.db2.gz LDGKLRUOGFOEKR-RXVVDRJESA-N 1 0 342.483 3.344 10 10 EGCERO C[C@H]([NH2+][C@@H](C(N)=O)c1ccc(Br)cc1)c1ccccc1O ZINC001175418620 1385281039 /nfs/dbraw/zinc/28/10/39/1385281039.db2.gz MPFVSODFNXKRCC-ZUZCIYMTSA-N 1 0 349.228 3.032 10 10 EGCERO c1c(C[NH2+]Cc2ccc(N3CCSCC3)cc2)nc2ccccn12 ZINC001177315031 1385910527 /nfs/dbraw/zinc/91/05/27/1385910527.db2.gz HLUVMVOTQAWNEG-UHFFFAOYSA-N 1 0 338.480 3.177 10 10 EGCERO COc1ccc(C[NH2+]C[C@@](C)(NC(=O)[C@H]2C[C@@H]2C)C2CC2)cc1C ZINC001698650777 1406300667 /nfs/dbraw/zinc/30/06/67/1406300667.db2.gz ZWKHQXHNWDUTJW-QKMWGZLOSA-N 1 0 330.472 3.034 10 10 EGCERO CN1CCN(c2ccc(C[N@@H+]3CCC[C@@H](CCF)C3)cc2F)CC1 ZINC001330375020 1389400779 /nfs/dbraw/zinc/40/07/79/1389400779.db2.gz RQILYNBOZWQTTA-INIZCTEOSA-N 1 0 337.458 3.149 10 10 EGCERO C[C@@H]1CCCN(C(=O)CC[NH2+]C/C=C/c2ccc(N(C)C)cc2)C1 ZINC001330719388 1389507978 /nfs/dbraw/zinc/50/79/78/1389507978.db2.gz BLYPESZJBDPEHB-BBOMDTFKSA-N 1 0 329.488 3.004 10 10 EGCERO CCc1cccc(C[NH2+]Cc2ccc(N3CCN(C)CC3)c(F)c2)c1 ZINC001332610017 1390140639 /nfs/dbraw/zinc/14/06/39/1390140639.db2.gz FYKLFPBANSIDAB-UHFFFAOYSA-N 1 0 341.474 3.430 10 10 EGCERO CC[C@H](F)C(=O)N[C@H](C[NH2+]Cc1ccc(OC)c(C)c1)C(C)(C)C ZINC001332837021 1390197191 /nfs/dbraw/zinc/19/71/91/1390197191.db2.gz IKGXUPUJHDOHKV-DOTOQJQBSA-N 1 0 338.467 3.372 10 10 EGCERO C[C@@H](NC(=O)[C@@H]1CC[C@H]2C[C@@H](C)C[N@@H+]2C1)c1ccc(N(C)C)cc1 ZINC001346765259 1390978179 /nfs/dbraw/zinc/97/81/79/1390978179.db2.gz VCQPGEZOSSIJGJ-LFEHRJTNSA-N 1 0 329.488 3.050 10 10 EGCERO Oc1cccc(Br)c1CNC1CC([NH+]2CCCCC2)C1 ZINC001351327342 1391627551 /nfs/dbraw/zinc/62/75/51/1391627551.db2.gz AEXNDKSZODAWKT-UHFFFAOYSA-N 1 0 339.277 3.261 10 10 EGCERO CC/C(C)=C\C(=O)NC[C@H]([NH2+]Cc1ccc(OC)c(C)c1)C1CC1 ZINC001480018416 1392537277 /nfs/dbraw/zinc/53/72/77/1392537277.db2.gz RZKMFDDHBGRGKR-BLSFAOBESA-N 1 0 330.472 3.344 10 10 EGCERO COc1ccc(C[NH2+][C@H](CNC(=O)C2(CF)CCC2)C2CC2)cc1C ZINC001480046377 1392550260 /nfs/dbraw/zinc/55/02/60/1392550260.db2.gz DOGMUCLRQHVQKD-QGZVFWFLSA-N 1 0 348.462 3.128 10 10 EGCERO COc1ccc(C[NH2+]CCN(C)C(=O)C[C@@H](C)n2cccc2)cc1C ZINC001481305682 1393160879 /nfs/dbraw/zinc/16/08/79/1393160879.db2.gz NOUBBFUVBBECBQ-QGZVFWFLSA-N 1 0 343.471 3.004 10 10 EGCERO COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)C[C@@H](C)C2CC2)cc1C ZINC001485961877 1396174389 /nfs/dbraw/zinc/17/43/89/1396174389.db2.gz UCZYFUWGCOGZLB-GDBMZVCRSA-N 1 0 332.488 3.376 10 10 EGCERO COc1ccc(C[NH2+][C@@H](C)CNC(=O)C[C@H](C)C(F)(F)F)cc1C ZINC001690618014 1404655583 /nfs/dbraw/zinc/65/55/83/1404655583.db2.gz QJRHEFHHDREEEA-STQMWFEESA-N 1 0 346.393 3.186 10 10 EGCERO COc1ccc(C[NH2+]C[C@H](C)NC(=O)c2occc2Cl)cc1C ZINC001699417415 1412731532 /nfs/dbraw/zinc/73/15/32/1412731532.db2.gz JXOXWSBSEOMGIQ-LBPRGKRZSA-N 1 0 336.819 3.158 10 10 EGCERO COc1ccc(C[NH2+][C@H](CNC(=O)c2ccsn2)C(C)C)cc1C ZINC001732559086 1428747652 /nfs/dbraw/zinc/74/76/52/1428747652.db2.gz UDJTUAILJKGFCD-MRXNPFEDSA-N 1 0 347.484 3.004 10 10 EGCERO CCN(CC[NH2+]Cc1ccc(OC)c(C)c1)C(=O)c1scnc1C ZINC001732764488 1428955986 /nfs/dbraw/zinc/95/59/86/1428955986.db2.gz AXWFKZGJHYSIKR-UHFFFAOYSA-N 1 0 347.484 3.020 10 10 EGCERO COc1ccc(C[NH2+]C/C=C/CNC(=O)C(C)(C)C(C)C)cc1C ZINC001732855801 1429011793 /nfs/dbraw/zinc/01/17/93/1429011793.db2.gz MHGJJLJTEYXBGF-BQYQJAHWSA-N 1 0 332.488 3.448 10 10 EGCERO CCC(CC)C[NH2+][C@H]1C[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001713208265 1417779011 /nfs/dbraw/zinc/77/90/11/1417779011.db2.gz HCVVSQPETGEGAJ-IYBDPMFKSA-N 1 0 345.447 3.136 10 10 EGCERO COc1ccc(C[NH2+]CCN(C)C(=O)[C@@H](C)c2cccs2)cc1C ZINC001713633559 1418403554 /nfs/dbraw/zinc/40/35/54/1418403554.db2.gz QNCCGVTWFFGGKM-HNNXBMFYSA-N 1 0 346.496 3.417 10 10 EGCERO CC[C@H](CNC(=O)C(C)=C1CCC1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001715060085 1419799208 /nfs/dbraw/zinc/79/92/08/1419799208.db2.gz ZDXPHXNTJIXJFA-GOSISDBHSA-N 1 0 330.472 3.488 10 10 EGCERO COc1ccc(C[NH2+]C[C@H](C)CNC(=O)/C=C(/C)C2CC2)cc1C ZINC001715220606 1419954573 /nfs/dbraw/zinc/95/45/73/1419954573.db2.gz KGISSLIABXMOKW-QTNMRXCUSA-N 1 0 330.472 3.202 10 10 EGCERO COc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)c2cc(C)co2)cc1C ZINC001715354937 1420055069 /nfs/dbraw/zinc/05/50/69/1420055069.db2.gz KLZCOSMKEOPOAE-HNNXBMFYSA-N 1 0 330.428 3.155 10 10 EGCERO CCCCC[N@H+](C)C[C@@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001716509131 1420741200 /nfs/dbraw/zinc/74/12/00/1420741200.db2.gz WSFXRFMBUDOFJU-CYBMUJFWSA-N 1 0 333.436 3.089 10 10 EGCERO COc1ccc(C[NH2+]CCCN(C)C(=O)c2cc(C)oc2C)cc1C ZINC001716527472 1420751964 /nfs/dbraw/zinc/75/19/64/1420751964.db2.gz BKZMTUKTEHELHA-UHFFFAOYSA-N 1 0 344.455 3.465 10 10 EGCERO CC[C@H](C)[C@@H](C)C(=O)NCC1([NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC001716697363 1420849788 /nfs/dbraw/zinc/84/97/88/1420849788.db2.gz PUGQDHJNYYJMFR-GOEBONIOSA-N 1 0 332.488 3.424 10 10 EGCERO COc1ccc(C[NH2+][C@H](C)CNC(=O)[C@@H]2CCC(C)(C)C2)cc1C ZINC001731619382 1427667936 /nfs/dbraw/zinc/66/79/36/1427667936.db2.gz QIZUTLOVAULPAG-NVXWUHKLSA-N 1 0 332.488 3.424 10 10 EGCERO COc1ccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)C2(CCF)CC2)cc1C ZINC001733986887 1437783020 /nfs/dbraw/zinc/78/30/20/1437783020.db2.gz YTSANGRANBMVTB-HUUCEWRRSA-N 1 0 336.451 3.126 10 10 EGCERO CC[C@H](F)C(=O)N(C)[C@@H](C[NH2+]Cc1ccc(OC)c(C)c1)C1CC1 ZINC001734302329 1438033995 /nfs/dbraw/zinc/03/39/95/1438033995.db2.gz GRBRYQVMWLCVGK-IRXDYDNUSA-N 1 0 336.451 3.078 10 10 EGCERO Cc1ccc(C[NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)s1 ZINC000071825303 215855612 /nfs/dbraw/zinc/85/56/12/215855612.db2.gz FYAPVCJSNAECRG-UHFFFAOYSA-N 1 0 334.460 3.447 10 10 EGCERO CN(C)c1ccc([C@H](CNC(=O)c2ccccc2)[NH+]2CCCC2)cc1 ZINC000005098045 210390486 /nfs/dbraw/zinc/39/04/86/210390486.db2.gz MBUOLUZPGASNSV-FQEVSTJZSA-N 1 0 337.467 3.320 10 10 EGCERO CCOc1ccc(O)c(C[NH+]2CCC(Nc3nccs3)CC2)c1 ZINC000189958927 455261700 /nfs/dbraw/zinc/26/17/00/455261700.db2.gz OETCUFZKBIKQNK-UHFFFAOYSA-N 1 0 333.457 3.324 10 10 EGCERO C[N@H+](Cc1ccc(N2CCOCC2)cc1)CC1(O)CCCCCC1 ZINC000190139151 455282530 /nfs/dbraw/zinc/28/25/30/455282530.db2.gz GZJKFTVSVYZUMM-UHFFFAOYSA-N 1 0 332.488 3.040 10 10 EGCERO CCOCc1cc(C[NH2+][C@H]2CCCc3[nH]c(=O)ccc32)ccc1OC ZINC000051188585 454613353 /nfs/dbraw/zinc/61/33/53/454613353.db2.gz OABDQORFYIIALQ-KRWDZBQOSA-N 1 0 342.439 3.087 10 10 EGCERO Oc1ccc(Br)cc1C[N@@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC000093690491 454730546 /nfs/dbraw/zinc/73/05/46/454730546.db2.gz NBYFCBVBXHHRIT-OAHLLOKOSA-N 1 0 349.228 3.203 10 10 EGCERO CC(=O)c1cc(F)cc(C[NH2+][C@@H]2CCCC[C@H]2n2cccn2)c1O ZINC000127851396 455003800 /nfs/dbraw/zinc/00/38/00/455003800.db2.gz JXPMCTWFSJTXGS-IAGOWNOFSA-N 1 0 331.391 3.204 10 10 EGCERO c1ncn([C@H]2CCC[N@@H+](Cc3ccc(N4CCCCC4)cc3)C2)n1 ZINC000179464651 455050258 /nfs/dbraw/zinc/05/02/58/455050258.db2.gz RZKSFQDLDKAWII-IBGZPJMESA-N 1 0 325.460 3.106 10 10 EGCERO c1cc(N2CCCCC2)ccc1C[N@@H+]1CCS[C@@H]2COCC[C@H]21 ZINC000245728171 455366619 /nfs/dbraw/zinc/36/66/19/455366619.db2.gz DYKCNBKTUZJOLJ-RTBURBONSA-N 1 0 332.513 3.383 10 10 EGCERO CC(C)(C)[C@H](O)C[C@H](CO)[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000284178497 455647247 /nfs/dbraw/zinc/64/72/47/455647247.db2.gz XLOVZIISVLYUBX-UYAOXDASSA-N 1 0 343.467 3.307 10 10 EGCERO CCN(C)c1ccc([C@@H](C)[NH2+][C@H]2CCCN(c3cnn(C)c3)C2)cc1 ZINC000248168619 455692779 /nfs/dbraw/zinc/69/27/79/455692779.db2.gz UGYZYTRNXNRRJT-AEFFLSMTSA-N 1 0 341.503 3.196 10 10 EGCERO C[C@H]([NH2+][C@@H]1c2ccccc2C[C@H]1O)c1cc(Br)ccc1O ZINC000248494598 455716333 /nfs/dbraw/zinc/71/63/33/455716333.db2.gz KNAWFDPDMVQYPT-LZVXQISVSA-N 1 0 348.240 3.464 10 10 EGCERO Cc1cc(N2CCC[C@H]([NH2+][C@@H](C)c3ccc(N(C)C)cc3)C2)n(C)n1 ZINC000278165194 455775684 /nfs/dbraw/zinc/77/56/84/455775684.db2.gz ASEFNVPZWLZYOT-WMZOPIPTSA-N 1 0 341.503 3.114 10 10 EGCERO Cc1cc(N2CCC[C@H]([NH2+][C@@H](C)c3ccc(C)c(C)c3O)C2)n(C)n1 ZINC000278544434 455839702 /nfs/dbraw/zinc/83/97/02/455839702.db2.gz VFATYWCUYDXHAI-IRXDYDNUSA-N 1 0 342.487 3.371 10 10 EGCERO C[N@H+](Cc1ccccc1O)C[C@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC000195163107 455928733 /nfs/dbraw/zinc/92/87/33/455928733.db2.gz SRRCBGUHSFERBU-IBGZPJMESA-N 1 0 334.460 3.471 10 10 EGCERO COCCC1(C)C[NH+](Cc2cc(Br)cc(C)c2O)C1 ZINC000297391858 456207704 /nfs/dbraw/zinc/20/77/04/456207704.db2.gz KNDWWDIXUNHZMU-UHFFFAOYSA-N 1 0 328.250 3.322 10 10 EGCERO C[C@@H]([NH2+]Cc1ccc(F)c(C[NH+](C)C)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273461041 456231555 /nfs/dbraw/zinc/23/15/55/456231555.db2.gz CSXUYOFNLPFQQA-GFCCVEGCSA-N 1 0 347.390 3.352 10 10 EGCERO Oc1ccc(F)cc1C[N@@H+]1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000282256414 456457249 /nfs/dbraw/zinc/45/72/49/456457249.db2.gz BQAUYUUJEFEVEB-CQSZACIVSA-N 1 0 329.419 3.444 10 10 EGCERO Cc1cc(C)c([C@H](C)[NH2+]C[C@@H]2CCC3(CCOCC3)[C@@H]2O)c(O)c1 ZINC000283729229 456831561 /nfs/dbraw/zinc/83/15/61/456831561.db2.gz BYXZLIHFWLMWQY-TXPKVOOTSA-N 1 0 333.472 3.227 10 10 EGCERO COc1cccc(C[N@@H+]2CCC[C@]3(C2)OCc2ccccc23)c1O ZINC000363953355 457468082 /nfs/dbraw/zinc/46/80/82/457468082.db2.gz QDVXSKPEPHXUKB-HXUWFJFHSA-N 1 0 325.408 3.422 10 10 EGCERO C[C@H]([NH2+][C@H]1CCc2nc[nH]c2C1)c1cc(Br)ccc1O ZINC000368102876 458009792 /nfs/dbraw/zinc/00/97/92/458009792.db2.gz QGTNJRGRJSWWQA-ONGXEEELSA-N 1 0 336.233 3.086 10 10 EGCERO Cc1noc(C)c1CO[C@@H]1CC[N@H+](Cc2cc(C)c(C)cc2O)C1 ZINC000368358775 458029537 /nfs/dbraw/zinc/02/95/37/458029537.db2.gz YEHRJXCJEKYCBQ-QGZVFWFLSA-N 1 0 330.428 3.405 10 10 EGCERO COc1cccc(C[N@@H+]2CCCN(c3ccccc3F)CC2)c1O ZINC000377693836 458510902 /nfs/dbraw/zinc/51/09/02/458510902.db2.gz HXFFJGUZWPTKNY-UHFFFAOYSA-N 1 0 330.403 3.252 10 10 EGCERO CCCN(Cc1ccccc1O)C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000373547714 458527600 /nfs/dbraw/zinc/52/76/00/458527600.db2.gz NUHIOSDVGXUMTR-UHFFFAOYSA-N 1 0 345.487 3.331 10 10 EGCERO COc1ccc(CN2CC[C@H]2C[NH2+][C@@H]2CCc3cccc(O)c32)cc1 ZINC000527965489 459784067 /nfs/dbraw/zinc/78/40/67/459784067.db2.gz MOSPCYOEKLSLHL-PKOBYXMFSA-N 1 0 338.451 3.252 10 10 EGCERO COc1cc(O)c(C[NH2+][C@@H](c2ccccn2)C2CCC2)cc1OC ZINC000529643982 459831952 /nfs/dbraw/zinc/83/19/52/459831952.db2.gz MXFZWLWRGWPEHV-LJQANCHMSA-N 1 0 328.412 3.435 10 10 EGCERO CCOc1ccc(O)c(C[NH2+]Cc2nc3cc(F)ccc3n2C)c1 ZINC000736355021 575941994 /nfs/dbraw/zinc/94/19/94/575941994.db2.gz BUDQGWKVRSNUND-UHFFFAOYSA-N 1 0 329.375 3.107 10 10 EGCERO Cc1cncc(/C=C/C(=O)N2C[C@H]3CCC[N@@H+]3Cc3ccccc32)c1 ZINC000121144579 1293358061 /nfs/dbraw/zinc/35/80/61/1293358061.db2.gz XKYOLGHTAARBRA-CSHXORCISA-N 1 0 333.435 3.414 10 10 EGCERO CCOc1ccc(O)c(C[NH+]2CCN(c3ccccc3OC)CC2)c1 ZINC000157404103 1294178020 /nfs/dbraw/zinc/17/80/20/1294178020.db2.gz BHOVRHUIOMJMCQ-UHFFFAOYSA-N 1 0 342.439 3.122 10 10 EGCERO COc1ccc(N2CC[NH+](Cc3cc(C)cc(C)c3O)CC2)cc1 ZINC000192452478 1295764660 /nfs/dbraw/zinc/76/46/60/1295764660.db2.gz HAVNQRIGXYZOHN-UHFFFAOYSA-N 1 0 326.440 3.340 10 10 EGCERO C[C@H]1C[C@H]([NH2+]Cc2cccc(O)c2O)CCN1Cc1ccccc1 ZINC000379636850 1297534433 /nfs/dbraw/zinc/53/44/33/1297534433.db2.gz XXDUHRNFWYANHZ-MAUKXSAKSA-N 1 0 326.440 3.241 10 10 EGCERO C[N@@H+]1C[C@H](C(=O)NCc2cccc(Cl)c2O)[C@@H](c2ccccc2)C1 ZINC000890761096 1304872990 /nfs/dbraw/zinc/87/29/90/1304872990.db2.gz KOICACKGTIIDEX-CVEARBPZSA-N 1 0 344.842 3.007 10 10 EGCERO COC(=O)c1c(C[NH2+][C@@H]2CCCSC2)c2cc(F)ccc2n1C ZINC000894325124 1306342785 /nfs/dbraw/zinc/34/27/85/1306342785.db2.gz DSMDSYXQFZVRLX-GFCCVEGCSA-N 1 0 336.432 3.089 10 10 EGCERO Cc1noc2ncc(CN(C)c3ccc(OCC[NH+](C)C)cc3)cc12 ZINC000894462271 1308903073 /nfs/dbraw/zinc/90/30/73/1308903073.db2.gz SYPPMFRDUDSKLP-UHFFFAOYSA-N 1 0 340.427 3.108 10 10 EGCERO CC[C@@H]1C[C@H]([NH2+]Cc2c3cc(F)ccc3n(C)c2C(=O)OC)CCO1 ZINC000895033458 1309165409 /nfs/dbraw/zinc/16/54/09/1309165409.db2.gz ALDLUWLZYSRIJV-ZIAGYGMSSA-N 1 0 348.418 3.151 10 10 EGCERO C[C@H](CNC(=O)c1cc2cc(O)c(O)cc2s1)C[NH+]1CCCCC1 ZINC000895803012 1309527253 /nfs/dbraw/zinc/52/72/53/1309527253.db2.gz SWXZXKQHIBISDS-GFCCVEGCSA-N 1 0 348.468 3.164 10 10 EGCERO Cc1cc(N(C)C)ccc1C[NH2+]C[C@@H]1CC[C@]2(CO[C@H](C)[C@H]2C)O1 ZINC000895818787 1309534298 /nfs/dbraw/zinc/53/42/98/1309534298.db2.gz FTPBOLKWQFICBY-YAJHFMINSA-N 1 0 332.488 3.123 10 10 EGCERO Cc1cc(C[NH2+]Cc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)ccn1 ZINC000858101027 1328682826 /nfs/dbraw/zinc/68/28/26/1328682826.db2.gz XBWZRJDVPUVXEH-HZPDHXFCSA-N 1 0 343.446 3.433 10 10 EGCERO CC[C@@H](COCC1CC1)[NH2+]Cc1c(O)cccc1Br ZINC000858186442 1328706715 /nfs/dbraw/zinc/70/67/15/1328706715.db2.gz BXYSKWIZTKWSJZ-LBPRGKRZSA-N 1 0 328.250 3.450 10 10 EGCERO Cc1cc(C2([NH2+]C/C=C/c3ccc(N(C)C)cc3)CCOCC2)on1 ZINC000858326430 1328737118 /nfs/dbraw/zinc/73/71/18/1328737118.db2.gz OPSMNNNWJWYHSU-SNAWJCMRSA-N 1 0 341.455 3.358 10 10 EGCERO C[C@H]([NH2+]Cc1c(C(F)(F)F)cnn1C)c1ccc(N(C)C)cc1 ZINC000858453857 1328766416 /nfs/dbraw/zinc/76/64/16/1328766416.db2.gz YSCUDECUATYPOH-NSHDSACASA-N 1 0 326.366 3.356 10 10 EGCERO CCO[C@@]1(C)C[C@H]1[NH2+][C@H](C)c1cc(Br)cc(OC)c1O ZINC000858503965 1328781881 /nfs/dbraw/zinc/78/18/81/1328781881.db2.gz JNVJPKWYZXLROD-PKPZWWHKSA-N 1 0 344.249 3.381 10 10 EGCERO CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cc2cc3c(cc2O)CCC3)C1 ZINC000921054038 1322249832 /nfs/dbraw/zinc/24/98/32/1322249832.db2.gz SEGMQEYMITXFEV-CRAIPNDOSA-N 1 0 344.499 3.398 10 10 EGCERO c1cc2c(c(C[NH2+]Cc3ccc(N4CCOCC4)cc3)n1)CCCC2 ZINC000921583253 1322358594 /nfs/dbraw/zinc/35/85/94/1322358594.db2.gz WKKIRWZJMUFENR-UHFFFAOYSA-N 1 0 337.467 3.087 10 10 EGCERO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+]Cc1c2c(nn1C)CCC2 ZINC000922188335 1322475210 /nfs/dbraw/zinc/47/52/10/1322475210.db2.gz VXFUCXIRAJQMPG-HNNXBMFYSA-N 1 0 326.488 3.004 10 10 EGCERO OC1CCN(c2ccc(C[NH2+]CC3C[C@H]4CC[C@@H](C3)S4)cc2)CC1 ZINC000922420901 1322525636 /nfs/dbraw/zinc/52/56/36/1322525636.db2.gz OYXDOGIPYIBHQF-XGSMCBPESA-N 1 0 346.540 3.412 10 10 EGCERO CCOCc1cc(C[NH2+]C[C@@H]2CC[C@@H](C(F)(F)F)O2)ccc1OC ZINC000922463988 1322534352 /nfs/dbraw/zinc/53/43/52/1322534352.db2.gz UPLRGAPYVBRCGG-HOCLYGCPSA-N 1 0 347.377 3.431 10 10 EGCERO OC1CCN(c2ccc(C[NH2+][C@H]3CC4CCC3CC4)cc2F)CC1 ZINC000924759380 1323148438 /nfs/dbraw/zinc/14/84/38/1323148438.db2.gz ILPRFVDXDQJZSU-KJXMEXGPSA-N 1 0 332.463 3.455 10 10 EGCERO OC1CCN(c2ccc(C[NH2+][C@H]3C[C@H]4C=C[C@@H]3CC4)cc2F)CC1 ZINC000924761458 1323149504 /nfs/dbraw/zinc/14/95/04/1323149504.db2.gz VGZPRGHTKMMAKP-GMBSWORKSA-N 1 0 330.447 3.231 10 10 EGCERO COC1CCN(c2ccc(C[NH2+][C@H]3[C@@H](C)[C@H](C)O[C@H]3C)cc2)CC1 ZINC000859829639 1329090051 /nfs/dbraw/zinc/09/00/51/1329090051.db2.gz GCBFDPWJWCUXOM-ULMVMLMRSA-N 1 0 332.488 3.203 10 10 EGCERO c1cc(N2CCSCC2)ccc1CN[C@H]1CC[NH2+]C12CCCC2 ZINC000925478062 1325167856 /nfs/dbraw/zinc/16/78/56/1325167856.db2.gz SMFNMRVGFKFKGI-SFHVURJKSA-N 1 0 331.529 3.004 10 10 EGCERO COc1ccc(N2CC[C@H](C[NH2+][C@@H](C3CCC3)[C@H]3CCOC3)C2)cc1 ZINC000926610397 1327634804 /nfs/dbraw/zinc/63/48/04/1327634804.db2.gz CZGVBGJLJVUISX-MMOPVJDHSA-N 1 0 344.499 3.316 10 10 EGCERO COc1ccc(N2CC[C@@H]([NH2+][C@@H]3CCCc4oc(C)nc43)C2)cc1 ZINC000926680444 1327662570 /nfs/dbraw/zinc/66/25/70/1327662570.db2.gz OKWXMTTWJMFDTN-RHSMWYFYSA-N 1 0 327.428 3.238 10 10 EGCERO CCS(=O)(=O)c1ccccc1CC[NH2+][C@H](C)c1ccc(C)cc1O ZINC000926910763 1327771912 /nfs/dbraw/zinc/77/19/12/1327771912.db2.gz WAAKJKAECWIJDB-OAHLLOKOSA-N 1 0 347.480 3.388 10 10 EGCERO C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC3(CCOCC3)O2)c2c1c(F)ccc2O ZINC000927013016 1327819788 /nfs/dbraw/zinc/81/97/88/1327819788.db2.gz JCWPEZQBRWXDRS-IPYPFGDCSA-N 1 0 335.419 3.397 10 10 EGCERO C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC3(CCOCC3)O2)c2c1c(F)ccc2O ZINC000927013020 1327820510 /nfs/dbraw/zinc/82/05/10/1327820510.db2.gz JCWPEZQBRWXDRS-UMVBOHGHSA-N 1 0 335.419 3.397 10 10 EGCERO CCc1onc(C)c1C[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000927139060 1327886697 /nfs/dbraw/zinc/88/66/97/1327886697.db2.gz FQIDXFBRRQYLES-CYBMUJFWSA-N 1 0 347.434 3.372 10 10 EGCERO Cc1ncc(C[NH2+][C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)o1 ZINC000862278923 1329473360 /nfs/dbraw/zinc/47/33/60/1329473360.db2.gz JSSIGQHMKNDLOE-OAHLLOKOSA-N 1 0 335.835 3.096 10 10 EGCERO Cc1nc(C)c(C[NH2+][C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)o1 ZINC000862280333 1329473735 /nfs/dbraw/zinc/47/37/35/1329473735.db2.gz YQXJDFWWUSTXSK-MRXNPFEDSA-N 1 0 349.862 3.405 10 10 EGCERO CC[C@H](N[C@H]1CC[C@H](C)[NH2+]C1)c1cc(Br)ccc1O ZINC000863547605 1329562362 /nfs/dbraw/zinc/56/23/62/1329562362.db2.gz QSARJPNHKHMSIM-JKOKRWQUSA-N 1 0 327.266 3.336 10 10 EGCERO c1cc(N2CCOCC2)ccc1C[NH2+]C1([C@@H]2CCCCO2)CCC1 ZINC000865856316 1329745851 /nfs/dbraw/zinc/74/58/51/1329745851.db2.gz GCBKLJFLIPXZQM-IBGZPJMESA-N 1 0 330.472 3.105 10 10 EGCERO CC[C@H](C[C@@H](C)O)[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000865871008 1329747282 /nfs/dbraw/zinc/74/72/82/1329747282.db2.gz HRNCYAQNZFFXOQ-GDBMZVCRSA-N 1 0 335.448 3.224 10 10 EGCERO C[C@@H]([NH2+][C@@H](C)c1ccnn1C)c1ccc(N2CCOCC2)cc1Cl ZINC000866612767 1330132860 /nfs/dbraw/zinc/13/28/60/1330132860.db2.gz NXNAFJCAYBFCDE-KGLIPLIRSA-N 1 0 348.878 3.322 10 10 EGCERO C[C@H](NC(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C)c1ccccc1O ZINC000868278147 1330267088 /nfs/dbraw/zinc/26/70/88/1330267088.db2.gz HUQWADAUYHEZAD-GUYCJALGSA-N 1 0 345.418 3.194 10 10 EGCERO C[NH+]1CCN(c2ccc(CNC(=O)c3csc(Cl)c3)cc2)CC1 ZINC001132899071 1375633302 /nfs/dbraw/zinc/63/33/02/1375633302.db2.gz LILSHSIRQKWEOZ-UHFFFAOYSA-N 1 0 349.887 3.083 10 10 EGCERO CC(C)[C@]1(C)C[C@H]1NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001229750019 1375885732 /nfs/dbraw/zinc/88/57/32/1375885732.db2.gz BVRGBAXCJNBWGE-NSHGMRRFSA-N 1 0 346.519 3.089 10 10 EGCERO CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+][C@H]2C[C@H](C)c3c2c(O)ccc3C)C1 ZINC001327227575 1388453557 /nfs/dbraw/zinc/45/35/57/1388453557.db2.gz HBTCPIBWTWYNTI-KSWRQPAISA-N 1 0 333.472 3.405 10 10 EGCERO COc1ccc(C[NH2+]C[C@H]2C[C@H](NC(=O)/C=C(/C)C3CC3)C2)cc1C ZINC001283024577 1378709038 /nfs/dbraw/zinc/70/90/38/1378709038.db2.gz WBGFFDJDWUACPF-KVGCUNEMSA-N 1 0 342.483 3.344 10 10 EGCERO COc1ccc(C[NH2+]CCC[C@H](C)NC(=O)[C@H]2C[C@H]3C[C@H]3C2)cc1C ZINC001283223320 1378765264 /nfs/dbraw/zinc/76/52/64/1378765264.db2.gz ZNXBQNDHLVAJRU-GDAAHCPNSA-N 1 0 344.499 3.424 10 10 EGCERO COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)c2cc(C)oc2C)cc1C ZINC001283571954 1379028687 /nfs/dbraw/zinc/02/86/87/1379028687.db2.gz KFNBPHBKZNXXGO-CQSZACIVSA-N 1 0 344.455 3.464 10 10 EGCERO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)CC[N@@H+]1CC[C@H](F)C1 ZINC001290334834 1382083319 /nfs/dbraw/zinc/08/33/19/1382083319.db2.gz QHBFUJXYIPSSOL-SFHVURJKSA-N 1 0 347.478 3.069 10 10 EGCERO Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2[NH2+]Cc1ccc2oc(=O)n(C)c2c1 ZINC001328799037 1388869866 /nfs/dbraw/zinc/86/98/66/1388869866.db2.gz IHFCZAVRUBVQDS-JSGCOSHPSA-N 1 0 338.407 3.484 10 10 EGCERO Cc1c(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccccc2O)cccc1[N+](=O)[O-] ZINC001308009926 1384074205 /nfs/dbraw/zinc/07/42/05/1384074205.db2.gz HMOPVLOPWKGDPH-OLZOCXBDSA-N 1 0 343.383 3.287 10 10 EGCERO COc1ccc(C[NH2+]C[C@H](C)CNC(=O)c2occc2C)cc1C ZINC001319157991 1385985628 /nfs/dbraw/zinc/98/56/28/1385985628.db2.gz SGTGSUMDFGYVLV-ZDUSSCGKSA-N 1 0 330.428 3.061 10 10 EGCERO COc1ccc(C[NH2+]C2(CNC(=O)C3CC=CC3)CCCC2)cc1C ZINC001319341542 1386069075 /nfs/dbraw/zinc/06/90/75/1386069075.db2.gz GTLUYCGXWVLFEC-UHFFFAOYSA-N 1 0 342.483 3.488 10 10 EGCERO COc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)C[C@H](C)C2CC2)cc1C ZINC001319594041 1386196077 /nfs/dbraw/zinc/19/60/77/1386196077.db2.gz RBEIBHDMQOWPPZ-GOEBONIOSA-N 1 0 332.488 3.376 10 10 EGCERO COc1ccc(C[NH2+]C[C@@](C)(NC(=O)CC(C)C)C2CC2)cc1C ZINC001698637555 1406284212 /nfs/dbraw/zinc/28/42/12/1406284212.db2.gz CMEILPOMQRZUOB-HXUWFJFHSA-N 1 0 332.488 3.424 10 10 EGCERO COc1ccc(C[NH2+]C[C@H](C)NC(=O)c2cscc2C)cc1C ZINC001321821841 1386990884 /nfs/dbraw/zinc/99/08/84/1386990884.db2.gz SGYDAZOVIKNWTD-AWEZNQCLSA-N 1 0 332.469 3.282 10 10 EGCERO Cn1c(=O)ccc2c1CCC[C@@H]2[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001332610032 1390140694 /nfs/dbraw/zinc/14/06/94/1390140694.db2.gz GEMAXENLAKZQMQ-IBGZPJMESA-N 1 0 337.467 3.153 10 10 EGCERO COc1ccc(C[NH2+]C[C@H](NC(=O)c2cc[nH]c2)C(C)(C)C)cc1C ZINC001332808049 1390192112 /nfs/dbraw/zinc/19/21/12/1390192112.db2.gz LQGDCYJFUKZYLJ-SFHVURJKSA-N 1 0 343.471 3.266 10 10 EGCERO COc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)c2cccs2)cc1C ZINC001698813066 1406501589 /nfs/dbraw/zinc/50/15/89/1406501589.db2.gz ZZVLCQVJNUSOLI-AWEZNQCLSA-N 1 0 332.469 3.315 10 10 EGCERO C[C@H]([NH2+]C[C@H](O)CC[C@@H](O)c1ccccc1)c1ccc(N(C)C)cc1 ZINC001351320693 1391626777 /nfs/dbraw/zinc/62/67/77/1391626777.db2.gz OCTKHSLFULKPRJ-ZLGUVYLKSA-N 1 0 342.483 3.278 10 10 EGCERO CN(C)c1ccc([C@H](CNC(=O)N(C)C[C@H]2CC2(C)C)[NH+](C)C)cc1 ZINC001479532829 1392272593 /nfs/dbraw/zinc/27/25/93/1392272593.db2.gz DIUPIFGEAOKXJK-AEFFLSMTSA-N 1 0 346.519 3.043 10 10 EGCERO COc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]2CCC2(C)C)cc1C ZINC001698854982 1406560750 /nfs/dbraw/zinc/56/07/50/1406560750.db2.gz XDBANVNMRJXHNR-RDJZCZTQSA-N 1 0 332.488 3.376 10 10 EGCERO COc1ccc(C[NH2+]CCN(C)C(=O)C2=CCCCCC2)cc1C ZINC001481223694 1393151146 /nfs/dbraw/zinc/15/11/46/1393151146.db2.gz PLFUELRYWLYMLW-UHFFFAOYSA-N 1 0 330.472 3.442 10 10 EGCERO COc1ccc(C[NH2+]CCN(C)C(=O)C(C)(C)C(C)(F)F)cc1C ZINC001481308277 1393161633 /nfs/dbraw/zinc/16/16/33/1393161633.db2.gz OBEORYSETDIXFW-UHFFFAOYSA-N 1 0 342.430 3.233 10 10 EGCERO COc1ccc(C[NH2+][C@@H](CNC(=O)/C=C(\C)C2CC2)C2CC2)cc1C ZINC001490636660 1394287900 /nfs/dbraw/zinc/28/79/00/1394287900.db2.gz DPGWPZIXWIVKQY-VUVZNRFTSA-N 1 0 342.483 3.344 10 10 EGCERO CC[C@@H](CNC(=O)c1ccc(C)o1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001481786025 1394529520 /nfs/dbraw/zinc/52/95/20/1394529520.db2.gz FJKDXBRQPHMFJV-INIZCTEOSA-N 1 0 330.428 3.203 10 10 EGCERO CC[C@@H](CNC(=O)c1scnc1C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001481791396 1394532432 /nfs/dbraw/zinc/53/24/32/1394532432.db2.gz COGKSZOPRSEMDN-HNNXBMFYSA-N 1 0 347.484 3.067 10 10 EGCERO COc1ccc(C[NH2+]C[C@@H](C)CNC(=O)[C@@H]2CC=CCC2)cc1C ZINC001482075177 1394736882 /nfs/dbraw/zinc/73/68/82/1394736882.db2.gz JSZNMKHDDAFNNN-CRAIPNDOSA-N 1 0 330.472 3.202 10 10 EGCERO COc1ccc(C[NH2+]C[C@H](CC(C)C)NC(=O)[C@@H]2C[C@H]2C)cc1C ZINC001482390373 1394950209 /nfs/dbraw/zinc/95/02/09/1394950209.db2.gz IRGIYZVRDWBOCA-FHLIZLRMSA-N 1 0 332.488 3.280 10 10 EGCERO COc1ccc(C[NH2+][C@H](CNC(=O)[C@H]2[C@@H]3CCC[C@@H]32)C(C)C)cc1C ZINC001482520471 1395069553 /nfs/dbraw/zinc/06/95/53/1395069553.db2.gz LJHIONPAOHBBAX-RMJJICAUSA-N 1 0 344.499 3.280 10 10 EGCERO COc1ccc(C[NH2+]C[C@H](C)NC(=O)c2ccc(F)s2)cc1C ZINC001498204079 1396936505 /nfs/dbraw/zinc/93/65/05/1396936505.db2.gz TXMIKUONYZQTJF-LBPRGKRZSA-N 1 0 336.432 3.112 10 10 EGCERO COc1ccc(C[NH2+][C@@H](CNC(=O)C(F)F)c2ccccc2)cc1C ZINC001732017144 1428232247 /nfs/dbraw/zinc/23/22/47/1428232247.db2.gz CHMBGNTVXOGDHO-INIZCTEOSA-N 1 0 348.393 3.216 10 10 EGCERO CC[C@H](CNC(=O)C[C@H]1C=CCC1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001732193683 1428445012 /nfs/dbraw/zinc/44/50/12/1428445012.db2.gz XPYOQNKCADGLOP-FUHWJXTLSA-N 1 0 330.472 3.344 10 10 EGCERO CC[C@H](CNC(=O)c1ccnc(C)c1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001732216839 1428464294 /nfs/dbraw/zinc/46/42/94/1428464294.db2.gz GEOCXKADUNLKTC-GOSISDBHSA-N 1 0 341.455 3.005 10 10 EGCERO COc1ccc(C[NH2+]C[C@@H](C)CNC(=O)c2ccc(C)cc2)cc1C ZINC001732369398 1428551577 /nfs/dbraw/zinc/55/15/77/1428551577.db2.gz JSMLTNSIMAYMTA-MRXNPFEDSA-N 1 0 340.467 3.468 10 10 EGCERO COc1ccc(C[NH2+]CCCN(C)C(=O)[C@H]2CCC2(C)C)cc1C ZINC001699530786 1412908180 /nfs/dbraw/zinc/90/81/80/1412908180.db2.gz OPLBYXNGDSMNHL-QGZVFWFLSA-N 1 0 332.488 3.378 10 10 EGCERO COc1ccc(C[NH2+]C[C@H](NC(=O)C2=CCCC2)C2CC2)cc1C ZINC001699575019 1412931585 /nfs/dbraw/zinc/93/15/85/1412931585.db2.gz JZJFRIQSIDFYDW-SFHVURJKSA-N 1 0 328.456 3.098 10 10 EGCERO COc1ccc(C[NH2+]CCC[C@H](C)NC(=O)c2ccn(C)c2)cc1C ZINC001700658023 1414318959 /nfs/dbraw/zinc/31/89/59/1414318959.db2.gz JBSQRECAHOASTF-INIZCTEOSA-N 1 0 343.471 3.030 10 10 EGCERO C[N@H+](CCCNC(=O)c1ccc(N=NC(N)=O)cc1)CCC(C)(C)C ZINC001712991384 1417543829 /nfs/dbraw/zinc/54/38/29/1417543829.db2.gz RXSVLELEXQGBAQ-UHFFFAOYSA-N 1 0 347.463 3.337 10 10 EGCERO COc1ccc(C[NH2+][C@@H](C)CNC(=O)c2ccc(F)cc2)cc1C ZINC001713293528 1417921001 /nfs/dbraw/zinc/92/10/01/1417921001.db2.gz LSACZWYGYNZPPT-AWEZNQCLSA-N 1 0 330.403 3.051 10 10 EGCERO COc1ccc(C[NH2+]CCN(C)C(=O)C[C@H]2CC=CCC2)cc1C ZINC001714745595 1419491303 /nfs/dbraw/zinc/49/13/03/1419491303.db2.gz KSVZJQRMIXNMEI-KRWDZBQOSA-N 1 0 330.472 3.298 10 10 EGCERO COc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)c2coc(C)c2)cc1C ZINC001715331189 1420037099 /nfs/dbraw/zinc/03/70/99/1420037099.db2.gz NPRVQZHHSUBGTC-CQSZACIVSA-N 1 0 330.428 3.155 10 10 EGCERO C[C@H](CC[NH2+]CC1CCCC1)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001715711729 1420305896 /nfs/dbraw/zinc/30/58/96/1420305896.db2.gz FMCJTYGBBHTUDW-CYBMUJFWSA-N 1 0 345.447 3.137 10 10 EGCERO COc1ccc(C[NH2+]C/C=C\CNC(=O)[C@H]2CC23CCCC3)cc1C ZINC001715889460 1420384436 /nfs/dbraw/zinc/38/44/36/1420384436.db2.gz IBUCWTGOUQZWMH-OOFWQKGWSA-N 1 0 342.483 3.346 10 10 EGCERO COc1ccc(C[NH2+]C[C@H](C)NC(=O)c2cc(C(C)C)no2)cc1C ZINC001716454793 1420669695 /nfs/dbraw/zinc/66/96/95/1420669695.db2.gz KQSPEJWQTULJAZ-AWEZNQCLSA-N 1 0 345.443 3.023 10 10 EGCERO CCC(CC)C[N@H+](C)[C@@H](C)CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001725201713 1425758443 /nfs/dbraw/zinc/75/84/43/1425758443.db2.gz LCICROIPBNXKGY-ZDUSSCGKSA-N 1 0 347.463 3.335 10 10 EGCERO COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)C[C@H]2C=CCC2)cc1C ZINC001725479610 1426154826 /nfs/dbraw/zinc/15/48/26/1426154826.db2.gz NODLEPYDMJZMJE-SJORKVTESA-N 1 0 330.472 3.296 10 10 EGCERO COc1ccc(C[NH2+]CC[C@H]2CCN(C(=O)[C@H]3CC34CC4)C2)cc1C ZINC001733665719 1429859926 /nfs/dbraw/zinc/85/99/26/1429859926.db2.gz GIFWRWFCMIHEEM-FUHWJXTLSA-N 1 0 342.483 3.132 10 10 EGCERO COc1ccc(C[NH2+]CC[C@@H]2CCN(C(=O)[C@H]3CC34CC4)C2)cc1C ZINC001733665722 1429859930 /nfs/dbraw/zinc/85/99/30/1429859930.db2.gz GIFWRWFCMIHEEM-SJLPKXTDSA-N 1 0 342.483 3.132 10 10 EGCERO CCN(CC)c1ccc(C[NH2+][C@H]2CCCc3[nH]c(=O)ccc32)cc1 ZINC000067504311 453936668 /nfs/dbraw/zinc/93/66/68/453936668.db2.gz JWPSTYSCBJYQTR-SFHVURJKSA-N 1 0 325.456 3.388 10 10 EGCERO CCNC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2ccc(N3CCCCC3)cc2)C1 ZINC000090410591 454301774 /nfs/dbraw/zinc/30/17/74/454301774.db2.gz DFSJFHHZRGFNKI-FUHWJXTLSA-N 1 0 344.503 3.131 10 10 EGCERO CCN(CC)c1ccc(C[N@@H+]2CCCC[C@H]2[C@H]2CNC(=O)C2)cc1F ZINC000092105073 454525351 /nfs/dbraw/zinc/52/53/51/454525351.db2.gz XTPJXMKWHSJHPO-AEFFLSMTSA-N 1 0 347.478 3.163 10 10 EGCERO CN(C)c1ccc(C[NH+]2CCC(NC(=O)C3CCCCC3)CC2)cc1 ZINC000092644603 454597596 /nfs/dbraw/zinc/59/75/96/454597596.db2.gz GEQOCMRQHPNIMP-UHFFFAOYSA-N 1 0 343.515 3.414 10 10 EGCERO c1cc(N2CCOCC2)ccc1C[NH2+][C@H]1CCOC2(CCCCC2)C1 ZINC000136723248 454753894 /nfs/dbraw/zinc/75/38/94/454753894.db2.gz OJQNEXCQTPUHGP-IBGZPJMESA-N 1 0 344.499 3.495 10 10 EGCERO CC[C@H]([NH2+][C@H](Cc1ccccc1)C(=O)N(C)C)c1ccccc1O ZINC000155759172 455041410 /nfs/dbraw/zinc/04/14/10/455041410.db2.gz NLWWDDRJRZGNOS-ZWKOTPCHSA-N 1 0 326.440 3.132 10 10 EGCERO CC[C@@H]([NH2+][C@H](Cc1ccccc1)C(=O)N(C)C)c1ccccc1O ZINC000155759293 455041744 /nfs/dbraw/zinc/04/17/44/455041744.db2.gz NLWWDDRJRZGNOS-QZTJIDSGSA-N 1 0 326.440 3.132 10 10 EGCERO FC(F)Oc1ccc(N2CCC[C@@H]([NH2+][C@H]3CCSC3)C2)cc1 ZINC000246820963 455527702 /nfs/dbraw/zinc/52/77/02/455527702.db2.gz APPFXEAPAPMXMF-OLZOCXBDSA-N 1 0 328.428 3.352 10 10 EGCERO Cc1ccc([C@@H](C)[NH2+][C@@H](Cc2ccccc2)C(=O)N(C)C)c(O)c1 ZINC000185408035 455555642 /nfs/dbraw/zinc/55/56/42/455555642.db2.gz LXBMFRMBWVNAAQ-QAPCUYQASA-N 1 0 326.440 3.051 10 10 EGCERO Cc1cc(C[C@H](C)[NH2+][C@H](C)c2ccc(Br)cc2O)[nH]n1 ZINC000186131535 455700094 /nfs/dbraw/zinc/70/00/94/455700094.db2.gz UXDZAQXTJKFVTC-GXSJLCMTSA-N 1 0 338.249 3.468 10 10 EGCERO C[C@H]([NH2+][C@@H]1CCN(Cc2ccccn2)C[C@H]1C)c1ccccc1O ZINC000248384281 455709682 /nfs/dbraw/zinc/70/96/82/455709682.db2.gz DHPKXFIATQNYQP-JTDSTZFVSA-N 1 0 325.456 3.348 10 10 EGCERO Cc1cc(N2CCC[C@@H]([NH2+][C@@H](C)c3ccc(C)cc3O)C2)n(C)n1 ZINC000278376481 455834020 /nfs/dbraw/zinc/83/40/20/455834020.db2.gz DWLMGRWSSIAABT-JKSUJKDBSA-N 1 0 328.460 3.062 10 10 EGCERO COC1CCN(c2ccc(C[N@H+](C)[C@H]3CCN(C)[C@@H](C)C3)cc2)CC1 ZINC000295118269 455840610 /nfs/dbraw/zinc/84/06/10/455840610.db2.gz WJQHMBXHSIVBRV-PXNSSMCTSA-N 1 0 345.531 3.216 10 10 EGCERO CC[C@@H]([NH2+]Cc1cccc(N2CCOCC2)n1)c1ccc(C)cc1O ZINC000280274461 455933507 /nfs/dbraw/zinc/93/35/07/455933507.db2.gz YCGJFKQZLICUDB-GOSISDBHSA-N 1 0 341.455 3.173 10 10 EGCERO CC(=O)c1cc(F)cc(C[N@H+]2C[C@@H](c3ccsc3)[C@H](CO)C2)c1O ZINC000188147912 456008665 /nfs/dbraw/zinc/00/86/65/456008665.db2.gz JATPJFLDYYCMFS-YOEHRIQHSA-N 1 0 349.427 3.003 10 10 EGCERO CCOc1cccc(C[N@@H+]2CCC3(C2)Oc2ccccc2O3)c1O ZINC000290161059 456257045 /nfs/dbraw/zinc/25/70/45/456257045.db2.gz LUVRLQYWSDBLLS-UHFFFAOYSA-N 1 0 327.380 3.164 10 10 EGCERO Cc1noc(C)c1CO[C@H]1CC[N@@H+](Cc2ccc(N(C)C)c(F)c2)C1 ZINC000370730727 457708521 /nfs/dbraw/zinc/70/85/21/457708521.db2.gz QCAPCQGXLBTERE-INIZCTEOSA-N 1 0 347.434 3.288 10 10 EGCERO O=C(/C=C/c1ccc(O)c(O)c1)Nc1cccc2c1C[N@@H+](C1CC1)C2 ZINC000375235404 457843244 /nfs/dbraw/zinc/84/32/44/457843244.db2.gz AVZXUJHRSOALLJ-WEVVVXLNSA-N 1 0 336.391 3.228 10 10 EGCERO c1cc(N2CCOCC2)ccc1C[N@@H+]1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000368217659 458020267 /nfs/dbraw/zinc/02/02/67/458020267.db2.gz ZQJDWSWSLKEGCL-VQTJNVASSA-N 1 0 342.483 3.057 10 10 EGCERO Cc1cccc(C[NH2+]C2CCN(C(=O)c3cc(Cl)c[nH]3)CC2)c1O ZINC000377717247 458512648 /nfs/dbraw/zinc/51/26/48/458512648.db2.gz NTRHZXDWSZDBQA-UHFFFAOYSA-N 1 0 347.846 3.077 10 10 EGCERO COc1ccc(O)c([C@H](C)NC(=O)NCC[NH+]2[C@@H](C)CCC[C@@H]2C)c1 ZINC000730825497 575025379 /nfs/dbraw/zinc/02/53/79/575025379.db2.gz DYRYMEWGJAKMMN-KKUMJFAQSA-N 1 0 349.475 3.024 10 10 EGCERO CCN(CC)c1ccc(C[NH2+]CC2(O)Cc3ccccc3C2)cc1F ZINC000740005394 576530395 /nfs/dbraw/zinc/53/03/95/576530395.db2.gz BEGWIQBFNLVECU-UHFFFAOYSA-N 1 0 342.458 3.291 10 10 EGCERO CCCN(CCC)c1ccc(C[NH2+][C@@H]2CC(=O)N([C@@H]3C[C@@H]3C)C2)cc1 ZINC000742392568 576778570 /nfs/dbraw/zinc/77/85/70/576778570.db2.gz QVQVALAFDWTTBT-ILZDJORESA-N 1 0 343.515 3.412 10 10 EGCERO C[NH2+]CC1CC[NH+](Cc2cc(Cl)cc(Br)c2[O-])CC1 ZINC000708097953 1298234315 /nfs/dbraw/zinc/23/43/15/1298234315.db2.gz AZMSNPPNAGPXPC-UHFFFAOYSA-N 1 0 347.684 3.240 10 10 EGCERO Cc1cc(Br)cc(C[N@H+](C)C[C@H]2CCCCO2)c1O ZINC000124569220 1293478910 /nfs/dbraw/zinc/47/89/10/1293478910.db2.gz CSUMMXGOQGOOGN-CQSZACIVSA-N 1 0 328.250 3.464 10 10 EGCERO CCCO[C@@H]1CC[N@H+](Cc2cc(Br)cc(C)c2O)C1 ZINC000701673696 1298189435 /nfs/dbraw/zinc/18/94/35/1298189435.db2.gz PQTLIDOAKYUUNJ-CQSZACIVSA-N 1 0 328.250 3.464 10 10 EGCERO CCOc1ccc(O)c(C[N@@H+]2CCC[C@@H](OCC(F)(F)F)C2)c1 ZINC000725846367 1298373760 /nfs/dbraw/zinc/37/37/60/1298373760.db2.gz AQUCISUTXQIYJN-CQSZACIVSA-N 1 0 333.350 3.334 10 10 EGCERO C[C@@]1(C[NH2+]Cc2ccc(N3CCOCC3)cc2)CCOC2(CCC2)C1 ZINC000886344738 1303444389 /nfs/dbraw/zinc/44/43/89/1303444389.db2.gz KRNHEZGTSRRBIC-HXUWFJFHSA-N 1 0 344.499 3.352 10 10 EGCERO CN(C)c1ccc(C[N@H+](Cc2ccc3[nH]c(=O)[nH]c3c2)C2CC2)cc1 ZINC000893929158 1306133885 /nfs/dbraw/zinc/13/38/85/1306133885.db2.gz ODZAWZAWFXLJIQ-UHFFFAOYSA-N 1 0 336.439 3.499 10 10 EGCERO COCCOc1cccc(C[NH2+]Cc2cc(C)cc(OC)c2O)c1 ZINC000894189641 1306268794 /nfs/dbraw/zinc/26/87/94/1306268794.db2.gz COUVKFSQNKLUMK-UHFFFAOYSA-N 1 0 331.412 3.024 10 10 EGCERO CCN(CC)c1ccc(CNCc2ncc(C(=O)OC)s2)cc1 ZINC000894195396 1306269643 /nfs/dbraw/zinc/26/96/43/1306269643.db2.gz ZCZLJJBRIPCHMS-UHFFFAOYSA-N 1 0 333.457 3.066 10 10 EGCERO COC(=O)c1c(CNCc2ncc(C)s2)c2cc(F)ccc2n1C ZINC000894267720 1306312469 /nfs/dbraw/zinc/31/24/69/1306312469.db2.gz BFEUFCRPFHFTPJ-UHFFFAOYSA-N 1 0 347.415 3.159 10 10 EGCERO COC(=O)c1c(C[NH2+]CCC(C)(F)F)c2cc(F)ccc2n1C ZINC000894868995 1309106771 /nfs/dbraw/zinc/10/67/71/1309106771.db2.gz KVBLYRGWDJDECJ-UHFFFAOYSA-N 1 0 328.334 3.239 10 10 EGCERO OC1CCN(c2ccc(C[NH2+]Cc3cnc(Cl)s3)cc2)CC1 ZINC000895151180 1309212748 /nfs/dbraw/zinc/21/27/48/1309212748.db2.gz JJFAMGCCTGUALT-UHFFFAOYSA-N 1 0 337.876 3.047 10 10 EGCERO COC(=O)c1c(C[NH2+]CC[C@H]2CC2(F)F)c2cc(F)ccc2n1C ZINC000895375475 1309305850 /nfs/dbraw/zinc/30/58/50/1309305850.db2.gz BRTMVCUUMYVCRC-JTQLQIEISA-N 1 0 340.345 3.239 10 10 EGCERO COc1cccc2c1CC[C@]2(CO)[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000895635328 1309439276 /nfs/dbraw/zinc/43/92/76/1309439276.db2.gz RUTFTTAFKUAZQA-LJQANCHMSA-N 1 0 347.842 3.286 10 10 EGCERO O=C(c1cc2cc(O)c(O)cc2s1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000896260456 1309774543 /nfs/dbraw/zinc/77/45/43/1309774543.db2.gz RAQNLFQIXWVYRT-CYBMUJFWSA-N 1 0 346.452 3.013 10 10 EGCERO COc1cccc([C@@H](C)[NH2+]C[C@@H](n2cccn2)C(F)(F)F)c1O ZINC000858448833 1328765688 /nfs/dbraw/zinc/76/56/88/1328765688.db2.gz GVGSDOBUAUFNNM-ZWNOBZJWSA-N 1 0 329.322 3.052 10 10 EGCERO CCN(C)c1ccc([C@@H](C)[NH2+]CC(C)(C)C(=O)N2CCCC2)cc1 ZINC000858539508 1328791731 /nfs/dbraw/zinc/79/17/31/1328791731.db2.gz FPAALUFJJSGJAL-MRXNPFEDSA-N 1 0 331.504 3.442 10 10 EGCERO C[NH+](C)CC[C@H](NCc1ccc2c(c1)CCCO2)c1cccnc1 ZINC000922630808 1322575801 /nfs/dbraw/zinc/57/58/01/1322575801.db2.gz RZAMKVRMEKAPBG-IBGZPJMESA-N 1 0 325.456 3.189 10 10 EGCERO CN(C)c1ccc(/C=C/C[NH2+]C[C@@H]2CCC3(CCOCC3)O2)cc1 ZINC000922807503 1322623492 /nfs/dbraw/zinc/62/34/92/1322623492.db2.gz BUIFDEUZHLVNMH-RTLBZRNLSA-N 1 0 330.472 3.084 10 10 EGCERO CCc1noc([C@@H]2CC[C@@H]([NH2+]Cc3ccc(N(C)C)c(F)c3)C2)n1 ZINC000922865882 1322635621 /nfs/dbraw/zinc/63/56/21/1322635621.db2.gz LEANDWCSGPXYGU-ZIAGYGMSSA-N 1 0 332.423 3.263 10 10 EGCERO C[C@@H]1CC2(CC([NH2+]Cc3ccc(N4CCSCC4)cc3)C2)CO1 ZINC000924708885 1323125228 /nfs/dbraw/zinc/12/52/28/1323125228.db2.gz SMBJIXAGCZLBDQ-LSJNQWAISA-N 1 0 332.513 3.287 10 10 EGCERO CC[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1cccc(OC)n1 ZINC000924755964 1323146740 /nfs/dbraw/zinc/14/67/40/1323146740.db2.gz XVRDIKANCZXKNY-GOSISDBHSA-N 1 0 341.455 3.168 10 10 EGCERO CC[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1cccc(OC)n1 ZINC000924755966 1323147090 /nfs/dbraw/zinc/14/70/90/1323147090.db2.gz XVRDIKANCZXKNY-SFHVURJKSA-N 1 0 341.455 3.168 10 10 EGCERO C[C@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)c1cc(Br)c(F)cc1[O-] ZINC000925803001 1325307824 /nfs/dbraw/zinc/30/78/24/1325307824.db2.gz LRMAZIPZUNILRD-OUAUKWLOSA-N 1 0 345.256 3.190 10 10 EGCERO CC[C@H](C[C@@](C)(O)CC)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000926725140 1327684623 /nfs/dbraw/zinc/68/46/23/1327684623.db2.gz QESMNCRKXOKOQJ-XLIONFOSSA-N 1 0 334.504 3.067 10 10 EGCERO C[C@H]([NH2+]C1CCC(C)([NH+]2CCC2)CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000927038075 1327827227 /nfs/dbraw/zinc/82/72/27/1327827227.db2.gz MJOPILVIFBMYSX-VNSJNIRKSA-N 1 0 333.432 3.358 10 10 EGCERO COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C2CCC(C)([NH+]3CCC3)CC2)c1 ZINC000927039513 1327827735 /nfs/dbraw/zinc/82/77/35/1327827735.db2.gz UUWGTXMABMXUEC-GPWPYBQESA-N 1 0 346.471 3.236 10 10 EGCERO C[C@H]([NH2+]Cc1ccc(N2CCC(CO)CC2)cc1)C1CC(F)(F)C1 ZINC000862275494 1329473434 /nfs/dbraw/zinc/47/34/34/1329473434.db2.gz WAKLQGIZQRJRGA-AWEZNQCLSA-N 1 0 338.442 3.419 10 10 EGCERO COC(=O)C1=CC[C@H]([NH2+]Cc2cc(OC)cc(C(C)(C)C)c2O)C1 ZINC000862468624 1329489235 /nfs/dbraw/zinc/48/92/35/1329489235.db2.gz ZMSOOLKRFFDYGH-AWEZNQCLSA-N 1 0 333.428 3.050 10 10 EGCERO Oc1ccccc1C[NH+]1CCC(Cc2nc(C3CCC3)no2)CC1 ZINC000862528005 1329492363 /nfs/dbraw/zinc/49/23/63/1329492363.db2.gz UQVJNASBLSTINL-UHFFFAOYSA-N 1 0 327.428 3.497 10 10 EGCERO Cc1cc(C2([NH2+]Cc3cc(Cl)c(C)cc3O)CCOCC2)on1 ZINC000862542021 1329494838 /nfs/dbraw/zinc/49/48/38/1329494838.db2.gz BZTZHSQFFBIZHT-UHFFFAOYSA-N 1 0 336.819 3.446 10 10 EGCERO Fc1ccc2onc(C[NH2+]Cc3ccc(N4CCOCC4)cc3)c2c1 ZINC000865760622 1329735865 /nfs/dbraw/zinc/73/58/65/1329735865.db2.gz MNDHWASAGCVLBY-UHFFFAOYSA-N 1 0 341.386 3.093 10 10 EGCERO CC(F)(F)C(C)(C)C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000865789550 1329738607 /nfs/dbraw/zinc/73/86/07/1329738607.db2.gz HLJXCLCTQBLKNF-UHFFFAOYSA-N 1 0 330.394 3.433 10 10 EGCERO CN(C)c1cc(F)c(C[NH2+]CCc2cn(C)c3ncccc23)cc1F ZINC000865811686 1329741180 /nfs/dbraw/zinc/74/11/80/1329741180.db2.gz AMATUBYWBRERRN-UHFFFAOYSA-N 1 0 344.409 3.250 10 10 EGCERO CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@@H](C3CCOCC3)C2)c1O ZINC000933076793 1329859621 /nfs/dbraw/zinc/85/96/21/1329859621.db2.gz BOUFPSYGCLGWEM-OAHLLOKOSA-N 1 0 335.419 3.373 10 10 EGCERO C[C@H]([NH2+][C@@H]1[C@H]2C[C@H]3CO[C@H]1[C@H]3C2)c1cc(Br)ccc1O ZINC000866446743 1330113607 /nfs/dbraw/zinc/11/36/07/1330113607.db2.gz WYCNGEYIHYGMPE-RIJNBJNWSA-N 1 0 338.245 3.229 10 10 EGCERO C[C@H]([NH2+][C@H]1[C@@H]2OC[C@@H]3C[C@H]1C[C@@H]32)c1cc(Br)ccc1O ZINC000866446745 1330113621 /nfs/dbraw/zinc/11/36/21/1330113621.db2.gz WYCNGEYIHYGMPE-XIDMARJMSA-N 1 0 338.245 3.229 10 10 EGCERO C[C@@H]1C[C@H]([NH2+]C[C@H]2CC3(CO2)CCOCC3)c2c1c(F)ccc2O ZINC000866530756 1330122216 /nfs/dbraw/zinc/12/22/16/1330122216.db2.gz CIMXCQTVYUYICX-NFAWXSAZSA-N 1 0 335.419 3.255 10 10 EGCERO C[C@H]([NH2+]C[C@H]1CC2(CO1)CCOCC2)c1ccc(Cl)cc1O ZINC000866533330 1330122996 /nfs/dbraw/zinc/12/29/96/1330122996.db2.gz PUFDEASBHFQAAV-GXTWGEPZSA-N 1 0 325.836 3.282 10 10 EGCERO COc1cccc([C@@H](C)[NH2+]CCc2cn(C)c3ncccc23)c1O ZINC000866572774 1330128373 /nfs/dbraw/zinc/12/83/73/1330128373.db2.gz DZFMBDSOMQJHEL-CYBMUJFWSA-N 1 0 325.412 3.181 10 10 EGCERO COc1ccc(C[NH2+]C[C@H](NC(=O)CC(C)(F)F)C2CC2)cc1C ZINC001323062093 1387278675 /nfs/dbraw/zinc/27/86/75/1387278675.db2.gz FPUURLBUTYTLBQ-HNNXBMFYSA-N 1 0 340.414 3.033 10 10 EGCERO CN(C)c1ccc(C[NH2+][C@@H]2CCN(C)[C@@H]2c2ccc(F)cc2)cc1 ZINC001324555718 1387670888 /nfs/dbraw/zinc/67/08/88/1387670888.db2.gz HWJKXEIBHVXXMA-WOJBJXKFSA-N 1 0 327.447 3.427 10 10 EGCERO COc1ccc(C[NH2+]C[C@]2(C)CCN(C(=O)[C@@H](C)C3CC3)C2)cc1C ZINC001324705222 1387744338 /nfs/dbraw/zinc/74/43/38/1387744338.db2.gz DSWWVLHAQWICEZ-KKSFZXQISA-N 1 0 344.499 3.378 10 10 EGCERO C[C@@H]([NH2+][C@H]1CCCN(c2cccc(F)c2)C1=O)c1ccccc1O ZINC001197003890 1368729455 /nfs/dbraw/zinc/72/94/55/1368729455.db2.gz LVOOUHFAFXUXPO-DYVFJYSZSA-N 1 0 328.387 3.378 10 10 EGCERO COc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)c2ccsc2)cc1C ZINC001270886580 1377616215 /nfs/dbraw/zinc/61/62/15/1377616215.db2.gz FYYHQKGOKSBCPB-AWEZNQCLSA-N 1 0 332.469 3.315 10 10 EGCERO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001142419071 1378441440 /nfs/dbraw/zinc/44/14/40/1378441440.db2.gz MMGDKFVFTHWTMR-WDSOQIARSA-N 1 0 345.531 3.229 10 10 EGCERO Cc1cc(CNC(=O)[C@H]2CCC[N@@H+]2C2CC2)c(C)n1-c1ccccc1 ZINC001151154475 1379668522 /nfs/dbraw/zinc/66/85/22/1379668522.db2.gz WEOOEJCIWMULPZ-HXUWFJFHSA-N 1 0 337.467 3.337 10 10 EGCERO Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N1CC[NH2+][C@@H](C(C)C)C1 ZINC001301112817 1383696916 /nfs/dbraw/zinc/69/69/16/1383696916.db2.gz VJTSHGMJBVEJGL-LJQANCHMSA-N 1 0 339.483 3.473 10 10 EGCERO CCN(C)c1ccc(C[N@H+](CC)CCNC(=O)OC(C)(C)C)cc1 ZINC001307936431 1384059515 /nfs/dbraw/zinc/05/95/15/1384059515.db2.gz MTINZWKEBTUQHD-UHFFFAOYSA-N 1 0 335.492 3.489 10 10 EGCERO CC[NH+](CC)[C@H](C)CNC(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001312634319 1384361991 /nfs/dbraw/zinc/36/19/91/1384361991.db2.gz KKEAVVOICPJMCE-QGZVFWFLSA-N 1 0 346.519 3.159 10 10 EGCERO COc1ccc(C[NH2+]C[C@](C)(NC(=O)c2ccco2)C2CC2)cc1C ZINC001318675239 1385832315 /nfs/dbraw/zinc/83/23/15/1385832315.db2.gz KWSMAYDBXKBVFU-FQEVSTJZSA-N 1 0 342.439 3.285 10 10 EGCERO C/C=C(\C)C(=O)N[C@](C)(C[NH2+]Cc1ccc(OC)c(C)c1)C1CC1 ZINC001698642339 1406290295 /nfs/dbraw/zinc/29/02/95/1406290295.db2.gz MGWJVGCELZDJLF-AUNDYOGISA-N 1 0 330.472 3.344 10 10 EGCERO COc1ccc(C[NH2+][C@H](CNC(=O)[C@H]2CC23CCC3)C(C)C)cc1C ZINC001319948160 1386412106 /nfs/dbraw/zinc/41/21/06/1386412106.db2.gz TYHZAVGVKTUWEJ-QZTJIDSGSA-N 1 0 344.499 3.424 10 10 EGCERO CC(C)n1cccc1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001180179845 1386722616 /nfs/dbraw/zinc/72/26/16/1386722616.db2.gz SWZHPSHPHRCKQZ-IBGZPJMESA-N 1 0 342.487 3.168 10 10 EGCERO COc1ccc(C[NH2+]C[C@H](C)CNC(=O)Cc2ccsc2)cc1C ZINC001698741633 1406392360 /nfs/dbraw/zinc/39/23/60/1406392360.db2.gz LZHXLGHERTUDTG-AWEZNQCLSA-N 1 0 346.496 3.150 10 10 EGCERO COc1ccc(C[NH2+][C@@H](C)CNC(=O)Cc2cccc(C)c2)cc1C ZINC001480528467 1392780154 /nfs/dbraw/zinc/78/01/54/1392780154.db2.gz PHZIUIMESFZLBV-KRWDZBQOSA-N 1 0 340.467 3.149 10 10 EGCERO COc1ccc(C[NH2+][C@H](C)CNC(=O)[C@H](C)C2CCCC2)cc1C ZINC001480570426 1392795895 /nfs/dbraw/zinc/79/58/95/1392795895.db2.gz RXGNJWFTESPEAC-HZPDHXFCSA-N 1 0 332.488 3.424 10 10 EGCERO COc1ccc(C[NH2+][C@H](C)CCNC(=O)c2ccsc2)cc1C ZINC001480747844 1392911686 /nfs/dbraw/zinc/91/16/86/1392911686.db2.gz ULAGEWZODKGREK-CQSZACIVSA-N 1 0 332.469 3.363 10 10 EGCERO COc1ccc(C[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]2C[C@H]2C)cc1C ZINC001485244754 1395736395 /nfs/dbraw/zinc/73/63/95/1395736395.db2.gz GBZZCSDSMOAQSD-RHSMWYFYSA-N 1 0 332.488 3.234 10 10 EGCERO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)CCCF)C[C@H]2C)cc1C ZINC001496358907 1396665600 /nfs/dbraw/zinc/66/56/00/1396665600.db2.gz DEPYNVQAZRNQND-NVXWUHKLSA-N 1 0 336.451 3.080 10 10 EGCERO CCC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001496492476 1396710127 /nfs/dbraw/zinc/71/01/27/1396710127.db2.gz UOMUBNHVHZJKFM-XJKSGUPXSA-N 1 0 345.447 3.089 10 10 EGCERO COc1ccc(C[NH2+][C@@H](C)CNC(=O)c2cccc(C)c2)cc1C ZINC001690552348 1404631391 /nfs/dbraw/zinc/63/13/91/1404631391.db2.gz ZZUQNIMDSUJJKQ-INIZCTEOSA-N 1 0 326.440 3.220 10 10 EGCERO CC[C@@H](CNC(=O)c1coc(C)c1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001698601062 1406226646 /nfs/dbraw/zinc/22/66/46/1406226646.db2.gz ZHHOGFAFNVTUNH-KRWDZBQOSA-N 1 0 330.428 3.203 10 10 EGCERO COc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)c2cc(Cl)c[nH]2)cc1C ZINC001732406665 1428569253 /nfs/dbraw/zinc/56/92/53/1428569253.db2.gz JGSYIMARMLZISC-CYBMUJFWSA-N 1 0 349.862 3.235 10 10 EGCERO C/C=C(/C)C(=O)N1CC[C@@H](CC[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001700056059 1413476570 /nfs/dbraw/zinc/47/65/70/1413476570.db2.gz ZOJBHLXCINRVEG-DBCFMDJHSA-N 1 0 330.472 3.298 10 10 EGCERO COc1ccc(C[NH2+]CCC[C@@H](C)NC(=O)c2ccco2)cc1C ZINC001700663338 1414322688 /nfs/dbraw/zinc/32/26/88/1414322688.db2.gz PFNPYPRTHHCELY-OAHLLOKOSA-N 1 0 330.428 3.285 10 10 EGCERO COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)c2scnc2C)cc1C ZINC001700736115 1414401732 /nfs/dbraw/zinc/40/17/32/1414401732.db2.gz AHPXMUHDYQIOHP-ZDUSSCGKSA-N 1 0 347.484 3.019 10 10 EGCERO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)C(F)=C2CCCC2)cc1C ZINC001732950637 1429075051 /nfs/dbraw/zinc/07/50/51/1429075051.db2.gz NSPRCFQSKCQWAM-CQSZACIVSA-N 1 0 334.435 3.396 10 10 EGCERO COc1ccc(C[NH2+][C@H](CNC(=O)C2(F)CCCC2)C2CC2)cc1C ZINC001713870036 1418666700 /nfs/dbraw/zinc/66/67/00/1418666700.db2.gz KHPTZWFRYRFDIE-QGZVFWFLSA-N 1 0 348.462 3.270 10 10 EGCERO COc1ccc(C[NH2+][C@H](C)CNC(=O)c2ccoc2C2CC2)cc1C ZINC001714266885 1419047836 /nfs/dbraw/zinc/04/78/36/1419047836.db2.gz HBBAWWQYCYLQPK-CQSZACIVSA-N 1 0 342.439 3.382 10 10 EGCERO COc1ccc(C[NH2+]C[C@H](CC(C)C)NC(=O)c2ccc[nH]2)cc1C ZINC001714909058 1419654200 /nfs/dbraw/zinc/65/42/00/1419654200.db2.gz WBSMDFHQGMRGKB-KRWDZBQOSA-N 1 0 343.471 3.266 10 10 EGCERO COc1ccc(C[NH2+]C[C@@H](C)CNC(=O)/C=C(\C)C2CC2)cc1C ZINC001715220595 1419954494 /nfs/dbraw/zinc/95/44/94/1419954494.db2.gz KGISSLIABXMOKW-MFYHJKBNSA-N 1 0 330.472 3.202 10 10 EGCERO COc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)c2ccc(Cl)[nH]2)cc1C ZINC001715355139 1420054943 /nfs/dbraw/zinc/05/49/43/1420054943.db2.gz BZHSRYHAFLTCTL-CYBMUJFWSA-N 1 0 349.862 3.235 10 10 EGCERO COc1ccc(C[NH2+][C@@H](CNC(=O)CC2CCC2)C(C)C)cc1C ZINC001715522335 1420209614 /nfs/dbraw/zinc/20/96/14/1420209614.db2.gz NVSXAGYXNJVXQA-SFHVURJKSA-N 1 0 332.488 3.424 10 10 EGCERO C[C@H](C[NH2+]CCC1CCCC1)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001716425074 1420651912 /nfs/dbraw/zinc/65/19/12/1420651912.db2.gz DWLRDLQZGQYXBF-CYBMUJFWSA-N 1 0 345.447 3.137 10 10 EGCERO COc1ccc(C[NH2+]C[C@@H](NC(=O)[C@H]2CC=CCC2)C2CC2)cc1C ZINC001716605073 1420773051 /nfs/dbraw/zinc/77/30/51/1420773051.db2.gz QHYCMBWGUWQSKO-RBUKOAKNSA-N 1 0 342.483 3.344 10 10 EGCERO COc1ccc(C[NH2+]C[C@H](NC(=O)[C@@H]2CC=CCC2)C2CC2)cc1C ZINC001716605071 1420773229 /nfs/dbraw/zinc/77/32/29/1420773229.db2.gz QHYCMBWGUWQSKO-MOPGFXCFSA-N 1 0 342.483 3.344 10 10 EGCERO COc1ccc(C[NH2+]C2(CNC(=O)[C@]34C[C@H]3CCCC4)CC2)cc1C ZINC001716692594 1420845402 /nfs/dbraw/zinc/84/54/02/1420845402.db2.gz ACTVTBIDYLELSQ-DYESRHJHSA-N 1 0 342.483 3.322 10 10 EGCERO CCC(CC)C[N@H+](C)[C@H](C)CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001725201712 1425758601 /nfs/dbraw/zinc/75/86/01/1425758601.db2.gz LCICROIPBNXKGY-CYBMUJFWSA-N 1 0 347.463 3.335 10 10 EGCERO CC[C@H](C)[C@@H](C)C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001731455376 1427431181 /nfs/dbraw/zinc/43/11/81/1427431181.db2.gz POOJRDSQHBQWIB-DHXZDTOLSA-N 1 0 332.488 3.423 10 10 EGCERO COc1ccc(C[NH2+][C@@H](C)CNC(=O)[C@@H]2CCC(C)(C)C2)cc1C ZINC001731619381 1427667840 /nfs/dbraw/zinc/66/78/40/1427667840.db2.gz QIZUTLOVAULPAG-DOTOQJQBSA-N 1 0 332.488 3.424 10 10 EGCERO COc1ccc(C[NH2+][C@H](C)CCNC(=O)c2ccccc2O)cc1C ZINC001731722125 1427794404 /nfs/dbraw/zinc/79/44/04/1427794404.db2.gz AIFPHYVYFNKBHR-OAHLLOKOSA-N 1 0 342.439 3.007 10 10 EGCERO COc1ccc(C[NH2+][C@](C)(CO)Cc2ccccc2OC)cc1C ZINC001197305016 1126154363 /nfs/dbraw/zinc/15/43/63/1126154363.db2.gz UNKKFKMVKDIZJN-FQEVSTJZSA-N 1 0 329.440 3.096 10 10 EGCERO Cc1cc(C[NH2+][C@](C)(CO)Cc2ccccc2F)ccc1N(C)C ZINC001648467161 1126250694 /nfs/dbraw/zinc/25/06/94/1126250694.db2.gz XPGDFDBBCRGFAS-FQEVSTJZSA-N 1 0 330.447 3.283 10 10 EGCERO Cc1cc(Cl)cc(C[N@H+]2CCC[C@@H]([C@H](O)c3nccn3C)C2)c1O ZINC000180728218 455234837 /nfs/dbraw/zinc/23/48/37/455234837.db2.gz QQROPMZVNSGDAB-DYVFJYSZSA-N 1 0 349.862 3.033 10 10 EGCERO CCN(CC)c1ccc(C[N@@H+]2CCO[C@@H]3CC[C@H](OC)C[C@H]32)cc1 ZINC000245693944 455357959 /nfs/dbraw/zinc/35/79/59/455357959.db2.gz AZFRTJRKENSNCL-XUVXKRRUSA-N 1 0 332.488 3.301 10 10 EGCERO CC(=O)c1ccc(OC[C@@H]2C[NH2+][C@H](c3ccc(N(C)C)cc3)O2)cc1 ZINC000032722766 453885284 /nfs/dbraw/zinc/88/52/84/453885284.db2.gz RYOFAHLLLJAPSX-PMACEKPBSA-N 1 0 340.423 3.021 10 10 EGCERO Cc1ccc(C[NH2+]Cc2ccc3c(c2)CCO3)c(O[C@@H]2CCOC2)c1 ZINC000089623627 454169040 /nfs/dbraw/zinc/16/90/40/454169040.db2.gz VNQLIHCASJXJNK-LJQANCHMSA-N 1 0 339.435 3.387 10 10 EGCERO COc1c(C[NH2+]Cc2ccc(N3CCCC3)cc2)c(C(C)C)nn1C ZINC000058391837 454197240 /nfs/dbraw/zinc/19/72/40/454197240.db2.gz YIJDFRHRCGUQPC-UHFFFAOYSA-N 1 0 342.487 3.442 10 10 EGCERO CCN(CC)c1ccc(C[N@@H+]2CCO[C@@H]3CC[C@@H](OC)C[C@@H]32)cc1 ZINC000092097358 454520711 /nfs/dbraw/zinc/52/07/11/454520711.db2.gz AZFRTJRKENSNCL-HSALFYBXSA-N 1 0 332.488 3.301 10 10 EGCERO Oc1cc2c(cc1C[N@H+]1CCC[C@H]1C[C@H](O)c1ccccc1)OCO2 ZINC000093868384 454742886 /nfs/dbraw/zinc/74/28/86/454742886.db2.gz XZQAUMQJXCVJLT-IRXDYDNUSA-N 1 0 341.407 3.209 10 10 EGCERO Oc1cc2c(cc1C[N@H+]1CCC[C@@H]1C[C@@H](O)c1ccccc1)OCO2 ZINC000093868385 454742907 /nfs/dbraw/zinc/74/29/07/454742907.db2.gz XZQAUMQJXCVJLT-IAGOWNOFSA-N 1 0 341.407 3.209 10 10 EGCERO CCCN(CCC)c1ccc(C[N@@H+]2CCCN(C(C)=O)CC2)cc1 ZINC000179815463 455084171 /nfs/dbraw/zinc/08/41/71/455084171.db2.gz BBYCUQLLVVBZAU-UHFFFAOYSA-N 1 0 331.504 3.367 10 10 EGCERO Cc1cc(Cl)cc(C[N@H+]2CCC[C@@H](CNC(=O)C(C)C)C2)c1O ZINC000179931290 455101018 /nfs/dbraw/zinc/10/10/18/455101018.db2.gz AXJSUSSQJTUMMJ-AWEZNQCLSA-N 1 0 338.879 3.338 10 10 EGCERO Cc1csc([C@H]2CCC[N@H+](Cc3cc4c(cc3O)OCO4)C2)n1 ZINC000156540264 455130028 /nfs/dbraw/zinc/13/00/28/455130028.db2.gz CZIIORCPFCOUHE-LBPRGKRZSA-N 1 0 332.425 3.265 10 10 EGCERO Cc1cc(C[NH2+][C@@H](C)c2ccc(-n3cncn3)cc2)ccc1N(C)C ZINC000271419846 455629727 /nfs/dbraw/zinc/62/97/27/455629727.db2.gz AAQSCILYJHGXCI-INIZCTEOSA-N 1 0 335.455 3.493 10 10 EGCERO C[C@H]([NH2+][C@H](CO)C[C@@H](O)C(C)(C)C)c1cc2c(cc1O)CCCC2 ZINC000284290374 455662959 /nfs/dbraw/zinc/66/29/59/455662959.db2.gz KFRIJFLQVVGFLJ-IYJAJMOOSA-N 1 0 335.488 3.080 10 10 EGCERO COc1c(O)c(C[N@@H+]2CCCC[C@H]2c2cccn2C)ccc1[N+](=O)[O-] ZINC000278209998 455787874 /nfs/dbraw/zinc/78/78/74/455787874.db2.gz KFFJSXCWXFPDLQ-HNNXBMFYSA-N 1 0 345.399 3.375 10 10 EGCERO CCOc1ccc(O)c(C[NH2+][C@@H]2CCOC3(CCSCC3)C2)c1 ZINC000269323710 455835383 /nfs/dbraw/zinc/83/53/83/455835383.db2.gz JZFLVUYZEYPMJZ-OAHLLOKOSA-N 1 0 337.485 3.325 10 10 EGCERO CN(Cc1cccs1)c1ccc(C[NH2+][C@@H]2CCC(=O)N(C)C2)cc1 ZINC000295655519 455856286 /nfs/dbraw/zinc/85/62/86/455856286.db2.gz JCSIWMXAHIPOQZ-MRXNPFEDSA-N 1 0 343.496 3.095 10 10 EGCERO CC[C@H]([NH2+][C@@H](C)c1ccc(Br)cc1O)[C@@H](O)C(F)F ZINC000296563016 455974252 /nfs/dbraw/zinc/97/42/52/455974252.db2.gz SJSPWQSWDOGSJD-VIRWGQHYSA-N 1 0 338.192 3.210 10 10 EGCERO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)CC1CC[NH+](C)CC1 ZINC000273318599 456224129 /nfs/dbraw/zinc/22/41/29/456224129.db2.gz YTUFLNFJOQAIKB-UHFFFAOYSA-N 1 0 343.515 3.367 10 10 EGCERO c1cc(N2CCOCC2)ccc1C[N@@H+]1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000368217662 458019644 /nfs/dbraw/zinc/01/96/44/458019644.db2.gz ZQJDWSWSLKEGCL-WOJBJXKFSA-N 1 0 342.483 3.057 10 10 EGCERO Cc1ccc([C@H](C)[NH2+][C@H]2CCCN(c3cnn(C)c3)C2)c(O)c1C ZINC000368316221 458025415 /nfs/dbraw/zinc/02/54/15/458025415.db2.gz OHGYDCZZMUNPLW-HOTGVXAUSA-N 1 0 328.460 3.062 10 10 EGCERO CCOc1cccc(C[NH2+][C@H]2CC[C@@H](C(=O)N3CCCCC3)C2)c1O ZINC000376003225 458158948 /nfs/dbraw/zinc/15/89/48/458158948.db2.gz JWQKDSFCYIIBBE-WBVHZDCISA-N 1 0 346.471 3.062 10 10 EGCERO COc1ccc(CN2CC[C@@H]2C[NH2+][C@H](C)c2ccccc2O)cc1 ZINC000527971449 459785724 /nfs/dbraw/zinc/78/57/24/459785724.db2.gz SIDVHNSKWWIPAZ-NVXWUHKLSA-N 1 0 326.440 3.326 10 10 EGCERO CC(C)(C)[C@H]1CN(C(=O)c2cn[nH]c2[C@H]2CC[NH2+]C2)c2ccccc21 ZINC000662545337 461291096 /nfs/dbraw/zinc/29/10/96/461291096.db2.gz OVTSATHNPCJGLE-BBRMVZONSA-N 1 0 338.455 3.277 10 10 EGCERO OCC1([NH2+]Cc2ccc(N3CCCCC3)cc2)Cc2ccccc2C1 ZINC000734846348 575559802 /nfs/dbraw/zinc/55/98/02/575559802.db2.gz RRACWHKSKZFMBJ-UHFFFAOYSA-N 1 0 336.479 3.296 10 10 EGCERO CN(C)c1ccc(CNC(=O)C[NH+]2CCC(C(C)(C)C)CC2)cc1 ZINC000734835702 575563176 /nfs/dbraw/zinc/56/31/76/575563176.db2.gz GXQIYTPMBBSORP-UHFFFAOYSA-N 1 0 331.504 3.127 10 10 EGCERO CCCN(CCC)c1ccc(C[NH2+][C@@H]2CC(=O)N([C@H]3C[C@@H]3C)C2)cc1 ZINC000742392567 576778603 /nfs/dbraw/zinc/77/86/03/576778603.db2.gz QVQVALAFDWTTBT-HQRMLTQVSA-N 1 0 343.515 3.412 10 10 EGCERO COc1cc(C)cc(C[N@@H+]2CCC[C@H](CNC(=O)C(C)(C)C)C2)c1O ZINC000164328776 1294346730 /nfs/dbraw/zinc/34/67/30/1294346730.db2.gz HHTZMURBJQIFRU-OAHLLOKOSA-N 1 0 348.487 3.084 10 10 EGCERO O=C([C@H](C[NH+]1CCCC1)c1ccccc1)N1Cc2cccc(O)c2C1 ZINC000871204537 1296271217 /nfs/dbraw/zinc/27/12/17/1296271217.db2.gz GADSXCXPDDOOQC-LJQANCHMSA-N 1 0 336.435 3.114 10 10 EGCERO Cc1cc(Br)cc(CN2CC[N@@H+]3CCCC[C@H]3C2)c1O ZINC000252731847 1296462522 /nfs/dbraw/zinc/46/25/22/1296462522.db2.gz RVTZNEPGIWPYBF-HNNXBMFYSA-N 1 0 339.277 3.133 10 10 EGCERO COc1cc(C)cc(C[NH2+][C@@H](c2ccncc2)C2(CO)CCC2)c1O ZINC000895358945 1309299346 /nfs/dbraw/zinc/29/93/46/1309299346.db2.gz IFACSFFOALJKLX-IBGZPJMESA-N 1 0 342.439 3.098 10 10 EGCERO Oc1ccc(Br)cc1C[N@@H+]1CC[C@@H]([C@H]2CCCO2)C1 ZINC000895848462 1309558144 /nfs/dbraw/zinc/55/81/44/1309558144.db2.gz ZMPUOVJCMNWPCF-IAQYHMDHSA-N 1 0 326.234 3.156 10 10 EGCERO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC000896746788 1309996268 /nfs/dbraw/zinc/99/62/68/1309996268.db2.gz XCSQCXZHTGJDKF-GFCCVEGCSA-N 1 0 348.468 3.116 10 10 EGCERO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000897739682 1310450113 /nfs/dbraw/zinc/45/01/13/1310450113.db2.gz RAYDFMXCZABUII-YPMHNXCESA-N 1 0 346.452 3.011 10 10 EGCERO O=c1ccc2c([nH]1)CCC[C@@H]2[NH2+]Cc1c(O)cccc1Br ZINC000858116071 1328686826 /nfs/dbraw/zinc/68/68/26/1328686826.db2.gz REKFJNMSBQZSGJ-ZDUSSCGKSA-N 1 0 349.228 3.423 10 10 EGCERO CCO[C@@H]1C[C@@H]([NH2+]Cc2c(O)cccc2Br)[C@@H]1SC ZINC000858181909 1328705049 /nfs/dbraw/zinc/70/50/49/1328705049.db2.gz AEDSGNDFOQFDNN-BNOWGMLFSA-N 1 0 346.290 3.153 10 10 EGCERO c1cc(N2CCOCC2)ccc1C[NH2+]C[C@H]1CCN1C1CCCCC1 ZINC000858221074 1328714277 /nfs/dbraw/zinc/71/42/77/1328714277.db2.gz AOSAARIRROYZJR-OAQYLSRUSA-N 1 0 343.515 3.020 10 10 EGCERO C[C@@H]([NH2+]CC[C@H]1CCCOC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000858446268 1328764811 /nfs/dbraw/zinc/76/48/11/1328764811.db2.gz WHKBHULYTBNRQY-HZPDHXFCSA-N 1 0 336.451 3.130 10 10 EGCERO COC(=O)C1=CC[C@H]([NH2+][C@@H](C)c2ccc(Br)cc2O)C1 ZINC000858473505 1328771076 /nfs/dbraw/zinc/77/10/76/1328771076.db2.gz OXKBMHUEEIFTKX-CABZTGNLSA-N 1 0 340.217 3.067 10 10 EGCERO Cc1ccc(O)c([C@H](C)[NH2+]CC2(OCCO)CCC(F)(F)CC2)c1 ZINC000858483459 1328775728 /nfs/dbraw/zinc/77/57/28/1328775728.db2.gz NCTACCJXYVSYPA-AWEZNQCLSA-N 1 0 343.414 3.308 10 10 EGCERO C[C@H]([NH2+][C@H]1[C@@H](C)[C@H](C)O[C@H]1C)c1ccc(N2CCOCC2)c(F)c1 ZINC000858529711 1328789248 /nfs/dbraw/zinc/78/92/48/1328789248.db2.gz OLSUONJTTLNALI-OXMIBSBGSA-N 1 0 336.451 3.125 10 10 EGCERO CC(C)(C)CC(=O)N1CC[NH+](Cc2c(O)ccc3ccncc32)CC1 ZINC000914570099 1319346767 /nfs/dbraw/zinc/34/67/67/1319346767.db2.gz MALGBSXZTSEECN-UHFFFAOYSA-N 1 0 341.455 3.021 10 10 EGCERO c1cncc([C@H]2CCC[N@@H+](Cc3ccc(N4CCOCC4)cc3)C2)c1 ZINC000930808993 1328976740 /nfs/dbraw/zinc/97/67/40/1328976740.db2.gz KRARAYNXBZBODZ-FQEVSTJZSA-N 1 0 337.467 3.298 10 10 EGCERO Cc1cc(C(=O)N[C@@H]2CCC[N@@H+](C)C2)c(C)n1-c1ccccc1C ZINC000918709197 1321981132 /nfs/dbraw/zinc/98/11/32/1321981132.db2.gz XJHOKDXHPJWAJH-QGZVFWFLSA-N 1 0 325.456 3.227 10 10 EGCERO O=C(NCc1c(O)cccc1F)NC1CCC([NH+]2CCCCC2)CC1 ZINC000921362511 1322301063 /nfs/dbraw/zinc/30/10/63/1322301063.db2.gz QNVGMMHPNODZGR-UHFFFAOYSA-N 1 0 349.450 3.128 10 10 EGCERO CCN(CC)c1ccc(C[NH2+]Cc2c3c(nn2C)CCC3)cc1F ZINC000921713856 1322382958 /nfs/dbraw/zinc/38/29/58/1322382958.db2.gz CEOZOXHIJWEVEB-UHFFFAOYSA-N 1 0 330.451 3.184 10 10 EGCERO COc1ccc(N2CC[C@@H]([NH2+]Cc3cc(C)cnc3Cl)C2)cc1 ZINC000922237410 1322485503 /nfs/dbraw/zinc/48/55/03/1322485503.db2.gz JXAGAUJTMFYVLZ-OAHLLOKOSA-N 1 0 331.847 3.421 10 10 EGCERO CCN(CC)c1ccc(C[NH2+]C[C@H]2CCC3(CCOCC3)O2)cc1 ZINC000922812440 1322625028 /nfs/dbraw/zinc/62/50/28/1322625028.db2.gz RVCQATKMUVLQLL-LJQANCHMSA-N 1 0 332.488 3.351 10 10 EGCERO CN(Cc1ccccc1O)C(=O)NC1CCC(C)([NH+]2CCCC2)CC1 ZINC000925038443 1323253019 /nfs/dbraw/zinc/25/30/19/1323253019.db2.gz UOZFGPGIOSGSMD-UHFFFAOYSA-N 1 0 345.487 3.331 10 10 EGCERO CC1([NH+]2CCCC2)CCC(NC(=O)NCc2c(O)cccc2F)CC1 ZINC000925060861 1323260763 /nfs/dbraw/zinc/26/07/63/1323260763.db2.gz PENCSMMUIIMSLQ-UHFFFAOYSA-N 1 0 349.450 3.128 10 10 EGCERO COc1ccc(N2CC[C@H](C[NH2+][C@H](C3CC3)[C@H]3CCCOC3)C2)cc1 ZINC000926609999 1327634211 /nfs/dbraw/zinc/63/42/11/1327634211.db2.gz BTAPMOZUNDEBCQ-PLMTUMEDSA-N 1 0 344.499 3.316 10 10 EGCERO C[C@@H]([NH2+]C[C@@H]1C=C[C@H]2C[C@@H]1CO2)c1cc(Br)ccc1O ZINC000926936629 1327784986 /nfs/dbraw/zinc/78/49/86/1327784986.db2.gz LCQVKUGESKVULK-CZXHOFHRSA-N 1 0 338.245 3.396 10 10 EGCERO CC[C@@H]([NH2+]CC(C)(C)CS(C)(=O)=O)c1cc(Cl)ccc1O ZINC000926954463 1327794994 /nfs/dbraw/zinc/79/49/94/1327794994.db2.gz DAEQGJKLNMJSBS-CYBMUJFWSA-N 1 0 333.881 3.157 10 10 EGCERO C[C@H]([NH2+]CC[C@@H]1CNC(=O)C1)c1ccc(N2CCCCCC2)cc1 ZINC000926985135 1327808680 /nfs/dbraw/zinc/80/86/80/1327808680.db2.gz FBEFOAOEZGTMON-IRXDYDNUSA-N 1 0 329.488 3.244 10 10 EGCERO CCc1noc([C@@H]2CC[C@H]([NH2+][C@H](C)c3cccc(OC)c3O)C2)n1 ZINC000927057713 1327834061 /nfs/dbraw/zinc/83/40/61/1327834061.db2.gz PERNSQSLRXMAIT-UPJWGTAASA-N 1 0 331.416 3.333 10 10 EGCERO CC[C@@H]([NH2+]C[C@H]1CCN1C1CCOCC1)c1ccc(N(C)C)cc1 ZINC000927109947 1327870942 /nfs/dbraw/zinc/87/09/42/1327870942.db2.gz OSILEIGTWJDIES-WOJBJXKFSA-N 1 0 331.504 3.047 10 10 EGCERO C[C@H]([NH2+]C[C@H](O)c1ccnn1C)c1ccc(N2CCCCCC2)cc1 ZINC000927131516 1327883788 /nfs/dbraw/zinc/88/37/88/1327883788.db2.gz JIJNYKYLYDZLFT-JXFKEZNVSA-N 1 0 342.487 3.185 10 10 EGCERO CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1C[NH2+]Cc1ccccc1O ZINC000862274515 1329472837 /nfs/dbraw/zinc/47/28/37/1329472837.db2.gz QAGOZFZJKPIXJI-ZDUSSCGKSA-N 1 0 342.386 3.127 10 10 EGCERO COC(=O)CC1([NH2+]Cc2c(O)cccc2Br)CCCC1 ZINC000862350895 1329477054 /nfs/dbraw/zinc/47/70/54/1329477054.db2.gz ICOIDCKGFARZBS-UHFFFAOYSA-N 1 0 342.233 3.120 10 10 EGCERO Cc1cc(=O)[nH]c(C(C)(C)[NH2+]C/C=C\c2ccc(N(C)C)cc2)n1 ZINC000862432536 1329486410 /nfs/dbraw/zinc/48/64/10/1329486410.db2.gz HMVGAUWBDVGRNF-SREVYHEPSA-N 1 0 326.444 3.095 10 10 EGCERO Oc1cc(Br)ccc1C[NH2+]C[C@@H]1Cc2ccccc2CO1 ZINC000862435754 1329486669 /nfs/dbraw/zinc/48/66/69/1329486669.db2.gz KIFJDYPAXVJHHX-INIZCTEOSA-N 1 0 348.240 3.386 10 10 EGCERO CCc1cccc(C[NH2+]CC2(OCCO)CCC(F)(F)CC2)c1O ZINC000862478029 1329489817 /nfs/dbraw/zinc/48/98/17/1329489817.db2.gz QOEKOHDANHIFEH-UHFFFAOYSA-N 1 0 343.414 3.001 10 10 EGCERO Cc1cccc(C[NH2+]C[C@H]2CN(c3ccc(Cl)cc3)CCO2)c1O ZINC000862482329 1329490385 /nfs/dbraw/zinc/49/03/85/1329490385.db2.gz RUDAQPAOTUDAEO-SFHVURJKSA-N 1 0 346.858 3.349 10 10 EGCERO COc1cc(O)c(C[N@@H+]2CC[C@@H](c3ccc(O)cc3)C2)cc1OC ZINC000862540218 1329494159 /nfs/dbraw/zinc/49/41/59/1329494159.db2.gz AXYSMHSXEANOMB-CQSZACIVSA-N 1 0 329.396 3.105 10 10 EGCERO CC[C@H]([NH2+]CC1([NH3+])CCOCC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000863541869 1329561884 /nfs/dbraw/zinc/56/18/84/1329561884.db2.gz QGHNMPIEIBYPFK-LBPRGKRZSA-N 1 0 333.259 3.248 10 10 EGCERO COc1cncc(C[NH2+]Cc2ccc(N3CCSCC3)cc2)c1C ZINC000865417524 1329694364 /nfs/dbraw/zinc/69/43/64/1329694364.db2.gz NZAZWQOLUIUXDY-UHFFFAOYSA-N 1 0 343.496 3.242 10 10 EGCERO Fc1cc(C[NH2+]Cc2ccc(N3CCOCC3)cc2)cnc1Cl ZINC000865427835 1329695954 /nfs/dbraw/zinc/69/59/54/1329695954.db2.gz KPAMPJRTFWDXEL-UHFFFAOYSA-N 1 0 335.810 3.001 10 10 EGCERO CCN(CC)c1ccc(C[NH2+]C[C@@H]2CC3(CO2)CCOCC3)cc1 ZINC000865782153 1329738136 /nfs/dbraw/zinc/73/81/36/1329738136.db2.gz YOHOOCUFJZXTHR-IBGZPJMESA-N 1 0 332.488 3.208 10 10 EGCERO CC[C@H](C[C@H](C)O)[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000865871010 1329747391 /nfs/dbraw/zinc/74/73/91/1329747391.db2.gz HRNCYAQNZFFXOQ-GOEBONIOSA-N 1 0 335.448 3.224 10 10 EGCERO c1ccc([C@@]23C[C@@H]2C[N@@H+](Cc2ccc(N4CCOCC4)cc2)C3)cc1 ZINC000931918451 1329771255 /nfs/dbraw/zinc/77/12/55/1329771255.db2.gz OSXVZOWZEDHXKA-IRLDBZIGSA-N 1 0 334.463 3.297 10 10 EGCERO c1csc(C[C@@H]2CC[N@H+](Cc3ccc(N4CCOCC4)cc3)C2)n1 ZINC000934329432 1329967080 /nfs/dbraw/zinc/96/70/80/1329967080.db2.gz QHEQUJUPBASXGG-KRWDZBQOSA-N 1 0 343.496 3.044 10 10 EGCERO C[C@H]1C[C@@H]([NH2+]CCOCC(=O)OC(C)(C)C)c2c1c(F)ccc2O ZINC000866437414 1330112554 /nfs/dbraw/zinc/11/25/54/1330112554.db2.gz GQXAXDWUCMYYTR-WCQYABFASA-N 1 0 339.407 3.028 10 10 EGCERO C[C@@H]([NH2+]C[C@H]1CC2(CO1)CCOCC2)c1cc(Cl)ccc1O ZINC000866530682 1330122325 /nfs/dbraw/zinc/12/23/25/1330122325.db2.gz BHEKDSPEJZHDBO-TZMCWYRMSA-N 1 0 325.836 3.282 10 10 EGCERO C[C@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl)c1ccnn1C ZINC000866612766 1330132798 /nfs/dbraw/zinc/13/27/98/1330132798.db2.gz NXNAFJCAYBFCDE-KBPBESRZSA-N 1 0 348.878 3.322 10 10 EGCERO C[C@H](NC(=O)NC1CC[NH+](CC2CCCC2)CC1)c1ccccc1O ZINC000868168980 1330258126 /nfs/dbraw/zinc/25/81/26/1330258126.db2.gz SLNRJOZDXALBKN-HNNXBMFYSA-N 1 0 345.487 3.407 10 10 EGCERO C[C@@H](NC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1)c1ccccc1O ZINC000868449149 1330281804 /nfs/dbraw/zinc/28/18/04/1330281804.db2.gz UGGLLCPNMPFACG-LSBZLQRGSA-N 1 0 339.439 3.198 10 10 EGCERO CN(C)c1ccc([C@@H](CNC(=O)C23CCC(CC2)CC3)[NH+](C)C)cc1 ZINC001134686593 1376657981 /nfs/dbraw/zinc/65/79/81/1376657981.db2.gz PHTAKNWLIZWEJP-IPFXWSOASA-N 1 0 343.515 3.442 10 10 EGCERO COc1ccc(C[NH2+][C@H](CCNC(=O)[C@H]2CC23CC3)C(C)C)cc1C ZINC001277592228 1378235747 /nfs/dbraw/zinc/23/57/47/1378235747.db2.gz WEDHYWGSEVJTEK-QZTJIDSGSA-N 1 0 344.499 3.424 10 10 EGCERO O=C(CCCC[NH+]1CCCC1)NCc1c(O)ccc2ccccc21 ZINC001157042046 1380759006 /nfs/dbraw/zinc/75/90/06/1380759006.db2.gz VAUGWEBGXQRHFU-UHFFFAOYSA-N 1 0 326.440 3.428 10 10 EGCERO CCC[N@H+](CC)C[C@@H](C)NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC001160193670 1382029052 /nfs/dbraw/zinc/02/90/52/1382029052.db2.gz NSZMPQAPOFDFCW-LLVKDONJSA-N 1 0 336.457 3.163 10 10 EGCERO C[C@H](CC[NH+](C)C)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC001290334935 1382083445 /nfs/dbraw/zinc/08/34/45/1382083445.db2.gz VFGZXWDUXVMGJB-QGZVFWFLSA-N 1 0 331.504 3.223 10 10 EGCERO Cc1cncnc1N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC001162438477 1382758995 /nfs/dbraw/zinc/75/89/95/1382758995.db2.gz XGLIHGUPONMIDB-HNNXBMFYSA-N 1 0 332.835 3.221 10 10 EGCERO Cc1cc(NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)ncc1[N+](=O)[O-] ZINC001307227169 1383961260 /nfs/dbraw/zinc/96/12/60/1383961260.db2.gz DBXQQCDVUDLYKV-QGZVFWFLSA-N 1 0 343.431 3.079 10 10 EGCERO CCCN(CC(C)C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001313409227 1384416563 /nfs/dbraw/zinc/41/65/63/1384416563.db2.gz ALPPEPWQHISQMB-LJQANCHMSA-N 1 0 348.535 3.433 10 10 EGCERO CCN(C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C)[C@H](C)C(C)C ZINC001313420776 1384417294 /nfs/dbraw/zinc/41/72/94/1384417294.db2.gz YVHBHKVWNAUOJK-VQIMIIECSA-N 1 0 348.535 3.431 10 10 EGCERO COc1ccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)C2CC(C)(C)C2)cc1C ZINC001329027208 1388935791 /nfs/dbraw/zinc/93/57/91/1388935791.db2.gz KLOHDCKAOIJERO-LSDHHAIUSA-N 1 0 332.488 3.423 10 10 EGCERO CC[C@@H](CNC(=O)[C@H](C)C(C)(F)F)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001318575274 1385765842 /nfs/dbraw/zinc/76/58/42/1385765842.db2.gz IHJBJQLGYUGFAM-ZFWWWQNUSA-N 1 0 342.430 3.279 10 10 EGCERO COc1ccc(C[NH2+]CCC[C@H](C)NC(=O)c2ccsn2)cc1C ZINC001330844322 1389543067 /nfs/dbraw/zinc/54/30/67/1389543067.db2.gz YATQBPADQZQJLJ-AWEZNQCLSA-N 1 0 347.484 3.148 10 10 EGCERO CO[C@@H]1CC[C@H]([NH2+][C@H](C)c2ccc(N3CCOCC3)cc2Cl)C1 ZINC001338829830 1389782102 /nfs/dbraw/zinc/78/21/02/1389782102.db2.gz SMQUFDZJPHAVLP-IJEWVQPXSA-N 1 0 338.879 3.395 10 10 EGCERO COc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]2CCC2(C)C)cc1C ZINC001698854983 1406560912 /nfs/dbraw/zinc/56/09/12/1406560912.db2.gz XDBANVNMRJXHNR-WBVHZDCISA-N 1 0 332.488 3.376 10 10 EGCERO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)C(C)(C)C(C)C)C2)cc1C ZINC001480142255 1392599787 /nfs/dbraw/zinc/59/97/87/1392599787.db2.gz KFZLITRJYJRUCV-QAQDUYKDSA-N 1 0 332.488 3.423 10 10 EGCERO CCCC[NH2+][C@@H]1CCC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001480711461 1392873644 /nfs/dbraw/zinc/87/36/44/1392873644.db2.gz XPRGIESLTUNVGE-CVEARBPZSA-N 1 0 345.447 3.280 10 10 EGCERO COc1ccc(C[NH2+][C@H](CNC(=O)CC(C)(F)F)C(C)C)cc1C ZINC001482553655 1395086338 /nfs/dbraw/zinc/08/63/38/1395086338.db2.gz FZYXVGBCWXWYAI-OAHLLOKOSA-N 1 0 342.430 3.279 10 10 EGCERO CC[C@H](CNC(=O)[C@@H]1C[C@H]1C1CCC1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001732215128 1428463144 /nfs/dbraw/zinc/46/31/44/1428463144.db2.gz NDDHKIUPTDUDFF-CEXWTWQISA-N 1 0 344.499 3.424 10 10 EGCERO COc1ccc(C[NH2+]CCCN(C)C(=O)[C@]2(C)C=CCC2)cc1C ZINC001699527826 1412906012 /nfs/dbraw/zinc/90/60/12/1412906012.db2.gz JPJMCNRFJRICEI-HXUWFJFHSA-N 1 0 330.472 3.298 10 10 EGCERO CC[C@@H]1C[C@H]1C(=O)N1CC[C@](C)(C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001699849302 1413278380 /nfs/dbraw/zinc/27/83/80/1413278380.db2.gz UNUADYDVKGVJNK-DBXWQHBBSA-N 1 0 344.499 3.378 10 10 EGCERO COc1ccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)C2(CF)CCC2)cc1C ZINC001700414475 1413958023 /nfs/dbraw/zinc/95/80/23/1413958023.db2.gz BHPPHJRLYOUFPS-LSDHHAIUSA-N 1 0 336.451 3.126 10 10 EGCERO COc1ccc(C[NH2+]C/C=C\CNC(=O)C(C)(C)C(C)C)cc1C ZINC001732855802 1429011797 /nfs/dbraw/zinc/01/17/97/1429011797.db2.gz MHGJJLJTEYXBGF-FPLPWBNLSA-N 1 0 332.488 3.448 10 10 EGCERO COc1ccc(C[NH2+][C@@H](C)CNC(=O)[C@@H]2CC3CCC2CC3)cc1C ZINC001714309318 1419090054 /nfs/dbraw/zinc/09/00/54/1419090054.db2.gz OHCNFPMMKQBPHU-NHFHULPWSA-N 1 0 344.499 3.424 10 10 EGCERO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)[C@H]2CCC(C)(C)C2)cc1C ZINC001716411565 1420641561 /nfs/dbraw/zinc/64/15/61/1420641561.db2.gz PTAZDLBLELCPQU-WBVHZDCISA-N 1 0 332.488 3.424 10 10 EGCERO COc1ccc(C[NH2+]C2(CNC(=O)c3ccsc3)CC2)cc1C ZINC001716674463 1420831156 /nfs/dbraw/zinc/83/11/56/1420831156.db2.gz AWYJDMRPVSIBCU-UHFFFAOYSA-N 1 0 330.453 3.117 10 10 EGCERO COc1ccc(C[NH2+][C@@H](C)[C@H](C)NC(=O)C(C2CC2)C2CC2)cc1C ZINC001717432228 1421360578 /nfs/dbraw/zinc/36/05/78/1421360578.db2.gz DMMMTKCFDIPHKL-GJZGRUSLSA-N 1 0 344.499 3.423 10 10 EGCERO COc1ccc(C[NH2+]C[C@@H](NC(=O)CCCF)C(C)(C)C)cc1C ZINC001717965485 1421737125 /nfs/dbraw/zinc/73/71/25/1421737125.db2.gz PEZPKMAOMDFOSA-QGZVFWFLSA-N 1 0 338.467 3.374 10 10 EGCERO CCCC[NH2+][C@H](C)[C@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001733538033 1429744062 /nfs/dbraw/zinc/74/40/62/1429744062.db2.gz JABBNXCSJNMHNH-HIFRSBDPSA-N 1 0 345.447 3.089 10 10 EGCERO C[C@@H](NC(=O)c1ccc(N=NC(N)=O)cc1)[C@H](C)[NH2+]CC1CCCC1 ZINC001734003260 1437795433 /nfs/dbraw/zinc/79/54/33/1437795433.db2.gz FXOKYSOLVJUGFP-QWHCGFSZSA-N 1 0 345.447 3.136 10 10 EGCERO CCCCC[N@@H+]1CC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)[C@H]1C ZINC001750933511 1440114184 /nfs/dbraw/zinc/11/41/84/1440114184.db2.gz FMWOWRLPZWBITL-CJNGLKHVSA-N 1 0 345.447 3.232 10 10 EGCERO Oc1cc2c(c(Br)c1O)CC[NH2+]C[C@H]2c1ccccc1 ZINC000013447136 453464941 /nfs/dbraw/zinc/46/49/41/453464941.db2.gz XKTGLDSNABUNGD-ZDUSSCGKSA-N 1 0 334.213 3.138 10 10 EGCERO CCOCc1cc(C[NH2+]C[C@H]2CCCn3cc(C)nc32)ccc1OC ZINC000089987051 454255540 /nfs/dbraw/zinc/25/55/40/454255540.db2.gz LBYYZKAHRBBQRA-QGZVFWFLSA-N 1 0 343.471 3.404 10 10 EGCERO CCOc1cccc(C[N@@H+]2CCC[C@@H]2c2c(C)nn(C)c2C)c1O ZINC000122765423 454567127 /nfs/dbraw/zinc/56/71/27/454567127.db2.gz NLTHVEPCTJQPJH-MRXNPFEDSA-N 1 0 329.444 3.478 10 10 EGCERO c1ncn(C2CC[NH+](Cc3ccc(N4CCCCC4)cc3)CC2)n1 ZINC000092647625 454599749 /nfs/dbraw/zinc/59/97/49/454599749.db2.gz FDENRZXFSYXUCT-UHFFFAOYSA-N 1 0 325.460 3.106 10 10 EGCERO CCCN(Cc1ccccc1O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000074792445 454636511 /nfs/dbraw/zinc/63/65/11/454636511.db2.gz RGTZLWJTTYXIBO-AYHJJNSGSA-N 1 0 345.487 3.329 10 10 EGCERO C[C@H](Cn1cncn1)[NH2+][C@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000164178726 454876559 /nfs/dbraw/zinc/87/65/59/454876559.db2.gz QKNSRFSRGHYRPL-IAGOWNOFSA-N 1 0 327.476 3.398 10 10 EGCERO CCN(C)c1ccc([C@H](C)[NH2+][C@@H]2CCCN(c3cnn(C)c3)C2)cc1 ZINC000166491630 454913000 /nfs/dbraw/zinc/91/30/00/454913000.db2.gz UGYZYTRNXNRRJT-FUHWJXTLSA-N 1 0 341.503 3.196 10 10 EGCERO Cc1ccc(C(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)c(O)c1O ZINC000182350832 455494625 /nfs/dbraw/zinc/49/46/25/455494625.db2.gz BKCHDQNGGYFDSE-MRXNPFEDSA-N 1 0 346.471 3.134 10 10 EGCERO C[C@H]([NH2+][C@@H]1CCC[C@H]2OCC[C@H]21)c1ccc(N2CCOCC2)c(F)c1 ZINC000246997275 455540812 /nfs/dbraw/zinc/54/08/12/455540812.db2.gz JRINUTZWQQUSCK-LBLLVPRASA-N 1 0 348.462 3.271 10 10 EGCERO C[C@@H]([NH2+][C@H]1CCCN(c2cnn(C)c2)C1)c1cc(Cl)ccc1O ZINC000185552290 455577477 /nfs/dbraw/zinc/57/74/77/455577477.db2.gz GOPLSVKMTVYZTK-OCCSQVGLSA-N 1 0 334.851 3.099 10 10 EGCERO COc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCN(c3ccccc3OC)C2)c1 ZINC000185712093 455603421 /nfs/dbraw/zinc/60/34/21/455603421.db2.gz JKEROYGRALJLNP-CABCVRRESA-N 1 0 342.439 3.339 10 10 EGCERO Cc1cc(C[C@H](C)[NH2+][C@@H](C)c2cc(Br)ccc2O)[nH]n1 ZINC000186130425 455699579 /nfs/dbraw/zinc/69/95/79/455699579.db2.gz OYIXOTVWKQHLHG-ONGXEEELSA-N 1 0 338.249 3.468 10 10 EGCERO C[C@H]([NH2+]C[C@H](O)C(F)(F)F)c1ccc(N2CCCCC2)c(F)c1 ZINC000268878557 455717217 /nfs/dbraw/zinc/71/72/17/455717217.db2.gz XBBIPZXTVGUPGA-NHYWBVRUSA-N 1 0 334.357 3.390 10 10 EGCERO COc1cccc(C[NH2+]CCc2cccc(C(F)(F)F)n2)c1O ZINC000292940641 455767821 /nfs/dbraw/zinc/76/78/21/455767821.db2.gz JULPBFNWHXDTMW-UHFFFAOYSA-N 1 0 326.318 3.147 10 10 EGCERO Cc1cc(Cl)cc(C[NH2+]Cc2cccc(N3CCOCC3)c2)c1O ZINC000293521530 455790451 /nfs/dbraw/zinc/79/04/51/455790451.db2.gz AZGQHMROFMVXMF-UHFFFAOYSA-N 1 0 346.858 3.480 10 10 EGCERO CCCN(CCC)c1ccc(C[NH2+]CCC2(O)CCOCC2)cc1 ZINC000285395990 455836255 /nfs/dbraw/zinc/83/62/55/455836255.db2.gz DVBIJVNXXQNGGV-UHFFFAOYSA-N 1 0 334.504 3.334 10 10 EGCERO COc1c(O)c(C[N@@H+]2CC[C@H](CC(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000278431884 455836348 /nfs/dbraw/zinc/83/63/48/455836348.db2.gz UBOBLUCPYYNYIN-SECBINFHSA-N 1 0 334.294 3.083 10 10 EGCERO CN(Cc1cccs1)c1ccc(C[NH2+][C@H]2CCC(=O)N(C)C2)cc1 ZINC000295655517 455856548 /nfs/dbraw/zinc/85/65/48/455856548.db2.gz JCSIWMXAHIPOQZ-INIZCTEOSA-N 1 0 343.496 3.095 10 10 EGCERO OC[C@H]([NH2+][C@H]1CCc2cccc(O)c21)c1cccc(Br)c1 ZINC000296234193 455887701 /nfs/dbraw/zinc/88/77/01/455887701.db2.gz APDUOQYHHDZLMO-GJZGRUSLSA-N 1 0 348.240 3.465 10 10 EGCERO CC1(C)C[N@H+](Cc2c(O)ccc3ccccc32)C[C@@]2(CCOC2)O1 ZINC000280194564 455913357 /nfs/dbraw/zinc/91/33/57/455913357.db2.gz HPLPFIIYSWEFBD-HXUWFJFHSA-N 1 0 327.424 3.315 10 10 EGCERO CC(=O)NC1CCC([NH2+][C@@H](C)c2cc3c(cc2O)CCCC3)CC1 ZINC000273579413 456239565 /nfs/dbraw/zinc/23/95/65/456239565.db2.gz MGOZQITYTYJDSI-TZYSRNFLSA-N 1 0 330.472 3.369 10 10 EGCERO Cc1cc(N2CCC([NH2+]Cc3cc(Cl)cc(C)c3O)CC2)n[nH]1 ZINC000276133064 456395579 /nfs/dbraw/zinc/39/55/79/456395579.db2.gz ZKUQSGBCNITGGM-UHFFFAOYSA-N 1 0 334.851 3.144 10 10 EGCERO CC(C)(C)OC(=O)N1CCC[C@]2(CC[N@@H+]2Cc2ccccc2O)C1 ZINC000291076997 456520386 /nfs/dbraw/zinc/52/03/86/456520386.db2.gz TZAKOFJVAYYSRI-IBGZPJMESA-N 1 0 332.444 3.368 10 10 EGCERO Cc1cc(C)c([C@H](C)[NH2+]C[C@H]2CCC3(CCOCC3)[C@H]2O)c(O)c1 ZINC000283729226 456831591 /nfs/dbraw/zinc/83/15/91/456831591.db2.gz BYXZLIHFWLMWQY-FCEWJHQRSA-N 1 0 333.472 3.227 10 10 EGCERO CCN(CC)c1ccc(C[NH2+][C@@H]2CCO[C@@]3(CCOC3)C2)cc1F ZINC000374268387 457555763 /nfs/dbraw/zinc/55/57/63/457555763.db2.gz GBMZRKFCRIKEDP-APWZRJJASA-N 1 0 336.451 3.100 10 10 EGCERO CCN(CC)c1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CNC(=O)C2)cc1 ZINC000361106437 457584381 /nfs/dbraw/zinc/58/43/81/457584381.db2.gz UXKWVHOMRZENSE-PKOBYXMFSA-N 1 0 329.488 3.023 10 10 EGCERO CCOc1ccc(O)c(C[N@@H+]2CC[C@H](OCc3c(C)noc3C)C2)c1 ZINC000370728563 457708815 /nfs/dbraw/zinc/70/88/15/457708815.db2.gz BWGHPLGPCLWJJK-KRWDZBQOSA-N 1 0 346.427 3.187 10 10 EGCERO C[C@@H]([NH2+][C@H]1CCc2nc[nH]c2C1)c1cc(Br)ccc1O ZINC000368102874 458010932 /nfs/dbraw/zinc/01/09/32/458010932.db2.gz QGTNJRGRJSWWQA-KOLCDFICSA-N 1 0 336.233 3.086 10 10 EGCERO C[C@@H]([NH2+]C1CCN(C(=O)c2cc(Cl)c[nH]2)CC1)c1ccccc1O ZINC000376058084 458180458 /nfs/dbraw/zinc/18/04/58/458180458.db2.gz OQFVRFLKTINYAV-GFCCVEGCSA-N 1 0 347.846 3.329 10 10 EGCERO CC[C@H]1C[N@H+](Cc2c(O)ccc3ccccc32)C[C@]2(CCOC2)O1 ZINC000373485440 458506722 /nfs/dbraw/zinc/50/67/22/458506722.db2.gz ZRNIJZFKBNOMRG-JXFKEZNVSA-N 1 0 327.424 3.315 10 10 EGCERO CCOc1ccc(C[NH2+]C[C@]2(C)COc3ccccc3O2)c(O)c1 ZINC000527732813 459717475 /nfs/dbraw/zinc/71/74/75/459717475.db2.gz CNFZXAFMXLJRDU-LJQANCHMSA-N 1 0 329.396 3.111 10 10 EGCERO COc1ccc(CN2CC[C@@H]2C[NH2+][C@@H](C)c2ccccc2O)cc1 ZINC000527971446 459786129 /nfs/dbraw/zinc/78/61/29/459786129.db2.gz SIDVHNSKWWIPAZ-DOTOQJQBSA-N 1 0 326.440 3.326 10 10 EGCERO O=c1ccc2c([nH]1)CCC[C@H]2[NH2+]Cc1cc(Br)ccc1O ZINC000728782958 574770977 /nfs/dbraw/zinc/77/09/77/574770977.db2.gz VDXXPRJMRBAXBZ-CYBMUJFWSA-N 1 0 349.228 3.423 10 10 EGCERO COC(=O)CC[N@H+](Cc1ccccc1)Cc1cc2c(cc1O)CCC2 ZINC000729462883 574862723 /nfs/dbraw/zinc/86/27/23/574862723.db2.gz ANXGRIYURHTILS-UHFFFAOYSA-N 1 0 339.435 3.446 10 10 EGCERO CCCN(CCC)c1ccc(C[NH2+]CCN2CCO[C@@H](C)C2)cc1 ZINC000729682985 574878645 /nfs/dbraw/zinc/87/86/45/574878645.db2.gz LTLUWCJQFWCEPQ-SFHVURJKSA-N 1 0 333.520 3.123 10 10 EGCERO Cc1cc(Br)cc([C@@H](C)[NH2+]CC2(C)OCCCO2)c1O ZINC000754125294 575008554 /nfs/dbraw/zinc/00/85/54/575008554.db2.gz YACLJKHCWHUZAR-LLVKDONJSA-N 1 0 344.249 3.267 10 10 EGCERO Cc1cc(C[N@@H+](C)CC(C)(C)S(C)(=O)=O)c(O)c(C(C)(C)C)c1 ZINC000161029739 1294283485 /nfs/dbraw/zinc/28/34/85/1294283485.db2.gz BFSHALPBKIGWNQ-UHFFFAOYSA-N 1 0 341.517 3.253 10 10 EGCERO CCc1nc(NC(=O)C[NH2+][C@@H](C)c2cc(OC)ccc2O)sc1C ZINC000182439767 1295046680 /nfs/dbraw/zinc/04/66/80/1295046680.db2.gz CCDCEEONCSBSLB-JTQLQIEISA-N 1 0 349.456 3.017 10 10 EGCERO CC[C@@H]([NH2+]CC1C[C@H]2CC[C@@H](C1)S2(=O)=O)c1ccc(C)cc1O ZINC000872118490 1296744605 /nfs/dbraw/zinc/74/46/05/1296744605.db2.gz AOSBEEFDAKNIMF-UCMJJCQDSA-N 1 0 337.485 3.097 10 10 EGCERO c1cc(N2CCOCC2)ccc1C[N@@H+]1CCC[C@H](OC2CCC2)CC1 ZINC000872259966 1296862814 /nfs/dbraw/zinc/86/28/14/1296862814.db2.gz FTNHMEWXOAUDJP-NRFANRHFSA-N 1 0 344.499 3.447 10 10 EGCERO COc1ccc(N2CCCN(Cc3nc(C(C)C)c[nH]3)CC2)cc1 ZINC000893969351 1306154183 /nfs/dbraw/zinc/15/41/83/1306154183.db2.gz LUSXKEFCXKFDIW-UHFFFAOYSA-N 1 0 328.460 3.254 10 10 EGCERO CCC[N@H+](Cc1c2c(nn1C)CCSC2)Cc1ccccc1O ZINC000893984507 1306163711 /nfs/dbraw/zinc/16/37/11/1306163711.db2.gz PMULXEWPQMUXOL-UHFFFAOYSA-N 1 0 331.485 3.327 10 10 EGCERO COC(=O)c1c(C[N@@H+]2CC[C@H](SC)C2)c2cc(F)ccc2n1C ZINC000894880172 1309113543 /nfs/dbraw/zinc/11/35/43/1309113543.db2.gz JHYTVXVLWBOPKV-LBPRGKRZSA-N 1 0 336.432 3.041 10 10 EGCERO CCOc1cccc(CN(c2ccccn2)[C@H]2CC[C@H]([NH3+])CC2)c1O ZINC000895111351 1309194654 /nfs/dbraw/zinc/19/46/54/1309194654.db2.gz NXNMPEUUFKEBBH-QAQDUYKDSA-N 1 0 341.455 3.462 10 10 EGCERO COC(=O)c1c(C[NH2+]CCC2CC(OC)C2)c2cc(F)ccc2n1C ZINC000895223909 1309246579 /nfs/dbraw/zinc/24/65/79/1309246579.db2.gz FSVRGXRNITVQDK-UHFFFAOYSA-N 1 0 348.418 3.009 10 10 EGCERO CCOC(=O)c1sc([C@@H]2CC[N@H+](Cc3ccccc3O)C2)nc1C ZINC000895585738 1309415324 /nfs/dbraw/zinc/41/53/24/1309415324.db2.gz YZTZHJJRYJEKFB-CQSZACIVSA-N 1 0 346.452 3.323 10 10 EGCERO Cc1cc(N(C)C)ccc1C[NH2+]C[C@@H]1CC[C@]2(CO[C@H](C)[C@@H]2C)O1 ZINC000895818738 1309535091 /nfs/dbraw/zinc/53/50/91/1309535091.db2.gz FTPBOLKWQFICBY-ACZWYYKOSA-N 1 0 332.488 3.123 10 10 EGCERO Cc1cc(Br)cc(C[N@@H+]2CC[C@H]([C@@H]3CCCO3)C2)c1O ZINC000895849463 1309558941 /nfs/dbraw/zinc/55/89/41/1309558941.db2.gz WXPJEPUHKNAZPP-WFASDCNBSA-N 1 0 340.261 3.464 10 10 EGCERO O=C(c1cc2cc(O)c(O)cc2s1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000896182556 1309733781 /nfs/dbraw/zinc/73/37/81/1309733781.db2.gz QZPSPMSCNLGVAM-ZDUSSCGKSA-N 1 0 346.452 3.013 10 10 EGCERO COc1ccc(O)c(C[NH2+]Cc2ccc(OC)c(OC3CC3)c2)c1 ZINC000858137866 1328692913 /nfs/dbraw/zinc/69/29/13/1328692913.db2.gz YLTMCZFOYNEDKK-UHFFFAOYSA-N 1 0 329.396 3.240 10 10 EGCERO CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(F)c(N(C)C)cc2F)[C@@H]1SC ZINC000858182159 1328705378 /nfs/dbraw/zinc/70/53/78/1328705378.db2.gz IWDCHARIFRDXGS-BMFZPTHFSA-N 1 0 330.444 3.029 10 10 EGCERO Oc1cccc(Br)c1C[NH2+][C@H](C1CC1)C1CCOCC1 ZINC000858184537 1328705564 /nfs/dbraw/zinc/70/55/64/1328705564.db2.gz LVKCTJYFXRJSEZ-MRXNPFEDSA-N 1 0 340.261 3.450 10 10 EGCERO C[C@@H]([NH2+]Cc1cc(F)c(N(C)C)cc1F)[C@](C)(O)c1ccccc1 ZINC000858183564 1328705812 /nfs/dbraw/zinc/70/58/12/1328705812.db2.gz ATEKMHBHUQGHBA-YJYMSZOUSA-N 1 0 334.410 3.417 10 10 EGCERO C[C@H]([NH2+]CC1(OCCO)CCC(F)(F)CC1)c1cc(F)ccc1O ZINC000858483679 1328775469 /nfs/dbraw/zinc/77/54/69/1328775469.db2.gz WNJAFQYYGHVMSZ-LBPRGKRZSA-N 1 0 347.377 3.139 10 10 EGCERO Cc1cc(C(=O)N2CCC(C)([NH+](C)C)CC2)c(C)n1-c1ccccn1 ZINC000913399701 1319027331 /nfs/dbraw/zinc/02/73/31/1319027331.db2.gz FBJHUXHRCVMDJL-UHFFFAOYSA-N 1 0 340.471 3.045 10 10 EGCERO Cc1cc(C[NH2+][C@H]2c3sccc3OC(C)(C)[C@@H]2O)ccc1N(C)C ZINC000930551429 1328893523 /nfs/dbraw/zinc/89/35/23/1328893523.db2.gz YNIWUMFRNXTADP-FUHWJXTLSA-N 1 0 346.496 3.485 10 10 EGCERO C[C@@H](c1ccccc1)[N@H+](CCc1cn(C)nn1)Cc1ccccc1O ZINC000859219500 1328949769 /nfs/dbraw/zinc/94/97/69/1328949769.db2.gz ZWSCUTCXBDOVJA-INIZCTEOSA-N 1 0 336.439 3.327 10 10 EGCERO CN(C)c1ccc(/C=C/C[NH2+]C[C@@H]2CC[C@H](C(F)(F)F)O2)cc1 ZINC000922454561 1322531290 /nfs/dbraw/zinc/53/12/90/1322531290.db2.gz MENRXXXEANMOCU-MEGKRXCUSA-N 1 0 328.378 3.465 10 10 EGCERO c1cc(N2CCOCC2)ccc1C[NH2+][C@H]1CCOC12CCCCC2 ZINC000924751333 1323145343 /nfs/dbraw/zinc/14/53/43/1323145343.db2.gz SHAAXIPEKATVSB-IBGZPJMESA-N 1 0 330.472 3.105 10 10 EGCERO CCN(C)c1ccc(C[NH+]2CCC(CC)(N3CCOCC3)CC2)cc1 ZINC000860029494 1329130866 /nfs/dbraw/zinc/13/08/66/1329130866.db2.gz JRSYSYWVENCWGO-UHFFFAOYSA-N 1 0 345.531 3.220 10 10 EGCERO C[C@@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)c1cc(Br)cc(F)c1[O-] ZINC000925883465 1325342379 /nfs/dbraw/zinc/34/23/79/1325342379.db2.gz WPRYZZSEZLEQNM-KKZNHRDASA-N 1 0 331.229 3.072 10 10 EGCERO COc1ccc(N2CC[C@H]([NH2+][C@@H](C)c3cc(OC)ccn3)C2)cc1 ZINC000926680232 1327663038 /nfs/dbraw/zinc/66/30/38/1327663038.db2.gz LBCZKFMDFQILGI-GJZGRUSLSA-N 1 0 327.428 3.028 10 10 EGCERO CCO[C@@H](C[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1)CN(C)C ZINC000926961514 1327799357 /nfs/dbraw/zinc/79/93/57/1327799357.db2.gz JKRLREYEBQINDA-PXNSSMCTSA-N 1 0 333.520 3.294 10 10 EGCERO C[C@@H]([NH2+]C1([C@H]2CCCCO2)CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000927159731 1327898828 /nfs/dbraw/zinc/89/88/28/1327898828.db2.gz IBIPPQKBUXAYAX-DNVCBOLYSA-N 1 0 348.462 3.415 10 10 EGCERO Cc1cc(O)c(C[NH2+]C[C@@H](n2cccn2)C(F)(F)F)cc1Cl ZINC000862434880 1329486809 /nfs/dbraw/zinc/48/68/09/1329486809.db2.gz JJLTVGGIVBNELH-CYBMUJFWSA-N 1 0 333.741 3.444 10 10 EGCERO COC(=O)Cc1ccc(C[NH2+]Cc2c(O)cc(C)cc2Cl)cc1 ZINC000862446948 1329488061 /nfs/dbraw/zinc/48/80/61/1329488061.db2.gz KOJNXCZAMUSQLY-UHFFFAOYSA-N 1 0 333.815 3.359 10 10 EGCERO CCC1(N2CCOCC2)CC[NH+](Cc2cc(C)cc(C)c2O)CC1 ZINC000863327510 1329546740 /nfs/dbraw/zinc/54/67/40/1329546740.db2.gz LVPYDHBUXCGQQM-UHFFFAOYSA-N 1 0 332.488 3.086 10 10 EGCERO c1csc(C[C@H]2CC[N@H+](Cc3ccc(N4CCOCC4)cc3)C2)n1 ZINC000934329433 1329967250 /nfs/dbraw/zinc/96/72/50/1329967250.db2.gz QHEQUJUPBASXGG-QGZVFWFLSA-N 1 0 343.496 3.044 10 10 EGCERO COc1ccc(N2CC[C@H](C[NH2+][C@H](C3CCC3)[C@@H]3CCCO3)C2)cc1 ZINC000866377076 1330104078 /nfs/dbraw/zinc/10/40/78/1330104078.db2.gz FQJLZPATAXUTMR-TYCQWZJGSA-N 1 0 344.499 3.459 10 10 EGCERO C[C@H](NC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1)c1ccccc1O ZINC000868449147 1330281883 /nfs/dbraw/zinc/28/18/83/1330281883.db2.gz UGGLLCPNMPFACG-FNHZYXHNSA-N 1 0 339.439 3.198 10 10 EGCERO CO[C@H](CC[NH2+]Cc1cc(F)c(N(C)C)cc1F)C(F)(F)F ZINC001118908726 1371247830 /nfs/dbraw/zinc/24/78/30/1371247830.db2.gz JOUYBPOUMGVOLV-CYBMUJFWSA-N 1 0 326.309 3.088 10 10 EGCERO CO[C@H]1CC[C@@H]([NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC001116747636 1370966212 /nfs/dbraw/zinc/96/62/12/1370966212.db2.gz GCNYTMXGSTVOGP-CVEARBPZSA-N 1 0 333.432 3.242 10 10 EGCERO COc1ccc(C[NH2+][C@H](C)CCNC(=O)Cc2occc2C)cc1C ZINC001267146061 1377418086 /nfs/dbraw/zinc/41/80/86/1377418086.db2.gz VYGIQKPLZRVIQZ-MRXNPFEDSA-N 1 0 344.455 3.132 10 10 EGCERO CC[N@@H+]1CCN(C(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)[C@H](C)C1 ZINC001140510441 1378075900 /nfs/dbraw/zinc/07/59/00/1378075900.db2.gz PPAXBLRADUOODX-OAHLLOKOSA-N 1 0 343.446 3.399 10 10 EGCERO C[C@@H](CC1CCCC1)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001288334825 1381782475 /nfs/dbraw/zinc/78/24/75/1381782475.db2.gz RGYRFOGGGTUQOG-KRWDZBQOSA-N 1 0 343.515 3.271 10 10 EGCERO COC(=O)c1cccc(C[N@H+](C)CCN(C)c2ccc(OC)cc2)c1 ZINC001307897043 1384053356 /nfs/dbraw/zinc/05/33/56/1384053356.db2.gz JRQPOFVYOGGIAU-UHFFFAOYSA-N 1 0 342.439 3.050 10 10 EGCERO Cc1cc(C[N@@H+](C)[C@H]2CCCCN(C)C2=O)ccc1N1CCCCC1 ZINC001307981760 1384067778 /nfs/dbraw/zinc/06/77/78/1384067778.db2.gz GAWJXQZGTQZBLG-FQEVSTJZSA-N 1 0 343.515 3.428 10 10 EGCERO CCCCN(Cc1ccccc1O)C(=O)NCC[N@@H+]1CC[C@@H](C)C1 ZINC001313368571 1384413749 /nfs/dbraw/zinc/41/37/49/1384413749.db2.gz HMQMZIXOJAUFBK-MRXNPFEDSA-N 1 0 333.476 3.046 10 10 EGCERO CCCCN(Cc1ccccc1O)C(=O)NCC[N@@H+]1CC[C@H](C)C1 ZINC001313368569 1384413756 /nfs/dbraw/zinc/41/37/56/1384413756.db2.gz HMQMZIXOJAUFBK-INIZCTEOSA-N 1 0 333.476 3.046 10 10 EGCERO C[N@H+](CCCC(C)(C)C)CCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001317472741 1385167963 /nfs/dbraw/zinc/16/79/63/1385167963.db2.gz KIGBCSRYQLXQNF-UHFFFAOYSA-N 1 0 347.463 3.337 10 10 EGCERO Cc1noc([C@H]2OCC[C@H]2[NH2+][C@H]2C[C@@H](C)c3c2c(O)ccc3C)n1 ZINC001329191727 1389014915 /nfs/dbraw/zinc/01/49/15/1389014915.db2.gz PGKCFPAFMRUMAI-XPZRHXQJSA-N 1 0 329.400 3.060 10 10 EGCERO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]CC[S@](=O)CC(F)(F)F ZINC001329574400 1389162064 /nfs/dbraw/zinc/16/20/64/1389162064.db2.gz SQXCCEQRZUWPAP-AUWXTCHYSA-N 1 0 335.391 3.150 10 10 EGCERO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]CC1C[C@H]2CC[C@@H](C1)S2(=O)=O ZINC001329691064 1389202651 /nfs/dbraw/zinc/20/26/51/1389202651.db2.gz UQADVXLRWHMEIZ-MOTUXRJWSA-N 1 0 349.496 3.194 10 10 EGCERO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]CCC1(CS(C)(=O)=O)CC1 ZINC001346857459 1390982620 /nfs/dbraw/zinc/98/26/20/1390982620.db2.gz AGMUOBIBECYVLR-ZIAGYGMSSA-N 1 0 337.485 3.053 10 10 EGCERO COc1ccc(C[NH2+][C@@H](C)CNC(=O)[C@H](C)c2cccs2)cc1C ZINC001480535436 1392782826 /nfs/dbraw/zinc/78/28/26/1392782826.db2.gz FIVZOSAXEKZWAT-LSDHHAIUSA-N 1 0 346.496 3.463 10 10 EGCERO COc1ccc(C[NH2+][C@H](C)CCNC(=O)c2ccnc(C)c2)cc1C ZINC001492101124 1396304417 /nfs/dbraw/zinc/30/44/17/1396304417.db2.gz DXINQBJVIKPRTM-OAHLLOKOSA-N 1 0 341.455 3.005 10 10 EGCERO C/C=C(\C)C(=O)N[C@@H]1CCC[C@H]1C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001699014377 1406845658 /nfs/dbraw/zinc/84/56/58/1406845658.db2.gz MOCQJNRHLIEGIO-DFGGWJSVSA-N 1 0 330.472 3.344 10 10 EGCERO COc1ccc(C[NH2+][C@H](CNC(=O)[C@@H]2CC2(C)C)C2CC2)cc1C ZINC001690149652 1404348741 /nfs/dbraw/zinc/34/87/41/1404348741.db2.gz OWBIBKJCFFHZBA-DLBZAZTESA-N 1 0 330.472 3.034 10 10 EGCERO COc1ccc(C[NH2+]CCN(C)C(=O)C2CC3(CCC3)C2)cc1C ZINC001691437284 1405269579 /nfs/dbraw/zinc/26/95/79/1405269579.db2.gz GSSYCQYKLCKOCO-UHFFFAOYSA-N 1 0 330.472 3.132 10 10 EGCERO CC[C@H](CNC(=O)CCC(F)(F)F)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001698593283 1406217067 /nfs/dbraw/zinc/21/70/67/1406217067.db2.gz GMNIBHPZLGPHLS-CQSZACIVSA-N 1 0 346.393 3.331 10 10 EGCERO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)Cc2cccc(C)c2)cc1C ZINC001699376461 1412682929 /nfs/dbraw/zinc/68/29/29/1412682929.db2.gz MGJDMCZDUUXTPB-QGZVFWFLSA-N 1 0 340.467 3.149 10 10 EGCERO COc1ccc(C[NH2+]C[C@@H](NC(=O)[C@@]2(C)C=CCC2)C2CC2)cc1C ZINC001699589309 1412947483 /nfs/dbraw/zinc/94/74/83/1412947483.db2.gz PHUOVGGPNUHQFC-NQIIRXRSSA-N 1 0 342.483 3.344 10 10 EGCERO COc1ccc(C[NH2+]CC2CC(NC(=O)C[C@@H](C)C3CC3)C2)cc1C ZINC001700381774 1413908496 /nfs/dbraw/zinc/90/84/96/1413908496.db2.gz CLHLTLGAIQZHLO-ZCGYKAAXSA-N 1 0 344.499 3.424 10 10 EGCERO COc1ccc(C[NH2+][C@H](C)[C@H](C)NC(=O)C2(CF)CCC2)cc1C ZINC001700414457 1413958129 /nfs/dbraw/zinc/95/81/29/1413958129.db2.gz BHPPHJRLYOUFPS-CABCVRRESA-N 1 0 336.451 3.126 10 10 EGCERO COc1ccc(C[NH2+]CCC[C@@H](C)NC(=O)c2ccn(C)c2)cc1C ZINC001700658024 1414319013 /nfs/dbraw/zinc/31/90/13/1414319013.db2.gz JBSQRECAHOASTF-MRXNPFEDSA-N 1 0 343.471 3.030 10 10 EGCERO COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)c2scnc2C)cc1C ZINC001700736114 1414401318 /nfs/dbraw/zinc/40/13/18/1414401318.db2.gz AHPXMUHDYQIOHP-CYBMUJFWSA-N 1 0 347.484 3.019 10 10 EGCERO COc1ccc(C[NH2+][C@H](CNC(=O)C2CC(C)C2)C2CC2)cc1C ZINC001713108321 1417669394 /nfs/dbraw/zinc/66/93/94/1417669394.db2.gz QDJDDZHHOFANFI-ZTUNLMCQSA-N 1 0 330.472 3.034 10 10 EGCERO COc1ccc(C[NH2+][C@H](C)CNC(=O)c2sccc2C)cc1C ZINC001713292254 1417919935 /nfs/dbraw/zinc/91/99/35/1417919935.db2.gz CUWFIJPHNUWKLN-CQSZACIVSA-N 1 0 332.469 3.282 10 10 EGCERO COc1ccc(C[NH2+][C@H](C)CNC(=O)[C@@H](C)c2ccccc2)cc1C ZINC001714299022 1419078194 /nfs/dbraw/zinc/07/81/94/1419078194.db2.gz HSVOESLNCXNPIW-SJORKVTESA-N 1 0 340.467 3.402 10 10 EGCERO COc1ccc(C[NH2+]C2(CNC(=O)/C=C(\C)C3CC3)CC2)cc1C ZINC001733236767 1429375849 /nfs/dbraw/zinc/37/58/49/1429375849.db2.gz FSSOVFHFLDQXPE-SDNWHVSQSA-N 1 0 328.456 3.098 10 10 EGCERO COc1ccc(C[NH2+]CC[C@@H](C)NC(=O)c2ccc(C)o2)cc1C ZINC001715622817 1420269305 /nfs/dbraw/zinc/26/93/05/1420269305.db2.gz OQKZSMANFYCUBH-CQSZACIVSA-N 1 0 330.428 3.203 10 10 EGCERO CCC(C)(C)C(=O)N[C@@H](C[NH2+]Cc1ccc(OC)c(C)c1)C1CC1 ZINC001716620577 1420782905 /nfs/dbraw/zinc/78/29/05/1420782905.db2.gz SUBRIHMRRONBPO-KRWDZBQOSA-N 1 0 332.488 3.424 10 10 EGCERO COc1ccc(C[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]2CC23CC3)cc1C ZINC001717457055 1421386503 /nfs/dbraw/zinc/38/65/03/1421386503.db2.gz UXVVAUWDFVBWNW-KRWDZBQOSA-N 1 0 344.499 3.378 10 10 EGCERO COc1ccc(C[NH2+][C@H](C)[C@H](C)NC(=O)Cc2ccccc2)cc1C ZINC001725090744 1425532656 /nfs/dbraw/zinc/53/26/56/1425532656.db2.gz HSSXLFURJPDVBE-SJORKVTESA-N 1 0 340.467 3.229 10 10 EGCERO CCCC[NH2+]C[C@H]1CC[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001725668086 1426351961 /nfs/dbraw/zinc/35/19/61/1426351961.db2.gz ZWCKHIJITFPJLV-XJKSGUPXSA-N 1 0 345.447 3.137 10 10 EGCERO COc1ccc(C[NH2+][C@H](CNC(=O)CC2(C)CC2)C2CC2)cc1C ZINC001731400093 1427359824 /nfs/dbraw/zinc/35/98/24/1427359824.db2.gz VHHBXWTXMQHVBO-QGZVFWFLSA-N 1 0 330.472 3.178 10 10 EGCERO COc1ccc(C[NH2+][C@H](CNC(=O)[C@@H](C)C2CC2)C2CC2)cc1C ZINC001731400400 1427360779 /nfs/dbraw/zinc/36/07/79/1427360779.db2.gz LMUNLNNSFIBJHI-KBXCAEBGSA-N 1 0 330.472 3.034 10 10 EGCERO COc1ccc(C[NH2+][C@@H](C)CNC(=O)C[C@H](C)n2cccc2)cc1C ZINC001731632376 1427685835 /nfs/dbraw/zinc/68/58/35/1427685835.db2.gz HEFBSMVNQQZEMT-IRXDYDNUSA-N 1 0 343.471 3.051 10 10 EGCERO COc1ccc(C[NH2+]CCN(C)C(=O)C(C)=C2CCCC2)cc1C ZINC001731901817 1428165804 /nfs/dbraw/zinc/16/58/04/1428165804.db2.gz COILHKCDBDOAKX-UHFFFAOYSA-N 1 0 330.472 3.442 10 10 EGCERO COc1ccc(C[NH2+]C2(CNC(=O)CC(F)(F)F)CCC2)cc1C ZINC001733714402 1429932336 /nfs/dbraw/zinc/93/23/36/1429932336.db2.gz VXCFNINZZSBWJC-UHFFFAOYSA-N 1 0 344.377 3.085 10 10 EGCERO COc1ccc(C[NH2+]C2(CNC(=O)[C@]3(C)C=CCC3)CCC2)cc1C ZINC001733721833 1429943288 /nfs/dbraw/zinc/94/32/88/1429943288.db2.gz JQKAVUAQNGSJBX-HXUWFJFHSA-N 1 0 342.483 3.488 10 10 EGCERO COc1ccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)c2cnc(C)s2)cc1C ZINC001733961827 1437767151 /nfs/dbraw/zinc/76/71/51/1437767151.db2.gz BLPQDXPMRQGOHB-CHWSQXEVSA-N 1 0 347.484 3.065 10 10 EGCERO COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]2CC=CCC2)cc1C ZINC001734312676 1438043177 /nfs/dbraw/zinc/04/31/77/1438043177.db2.gz GCYLYSPMALQDKR-FUHWJXTLSA-N 1 0 330.472 3.296 10 10 EGCERO COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)Cc2occc2C)cc1C ZINC001734346704 1438065862 /nfs/dbraw/zinc/06/58/62/1438065862.db2.gz XKINTSFCOZQESR-INIZCTEOSA-N 1 0 344.455 3.084 10 10 EGCERO COc1ccc(C[NH2+][C@@H]2C[C@H](C)N(C(=O)CCC(F)F)C2)cc1C ZINC001734421661 1438089982 /nfs/dbraw/zinc/08/99/82/1438089982.db2.gz UZJNYYZIRRKMCZ-DZGCQCFKSA-N 1 0 340.414 3.128 10 10 EGCERO COc1cc(Cl)cc(C[NH2+]C[C@H](n2cccn2)C(F)(F)F)c1O ZINC000529638057 313375674 /nfs/dbraw/zinc/37/56/74/313375674.db2.gz XIXIKLPZAWJAJA-LBPRGKRZSA-N 1 0 349.740 3.144 10 10 EGCERO C[NH+](C)Cc1cc(C(C)(C)C)cc(I)c1O ZINC000027844730 453820812 /nfs/dbraw/zinc/82/08/12/453820812.db2.gz XCTGWUBSZMSEJY-UHFFFAOYSA-N 1 0 333.213 3.356 10 10 EGCERO CC(=O)c1ccc(OC[C@@H]2C[NH2+][C@@H](c3ccc(N(C)C)cc3)O2)cc1 ZINC000032722764 453885535 /nfs/dbraw/zinc/88/55/35/453885535.db2.gz RYOFAHLLLJAPSX-VQTJNVASSA-N 1 0 340.423 3.021 10 10 EGCERO C[C@H]([NH2+]CCCN1CCCC1=O)c1ccc(N2CCCCC2)cc1 ZINC000159563218 455385686 /nfs/dbraw/zinc/38/56/86/455385686.db2.gz XYWJPEOHTHPVSG-KRWDZBQOSA-N 1 0 329.488 3.340 10 10 EGCERO Cc1ccc(O)c(C[N@@H+]2CCC[C@H](C(=O)Nc3cccc(C)n3)C2)c1 ZINC000091686408 454457781 /nfs/dbraw/zinc/45/77/81/454457781.db2.gz QSORAKJYUGOKCT-INIZCTEOSA-N 1 0 339.439 3.255 10 10 EGCERO CCOc1ccc(O)c(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2ccco2)c1 ZINC000091958900 454495240 /nfs/dbraw/zinc/49/52/40/454495240.db2.gz BITJDOCURUIKOG-QAPCUYQASA-N 1 0 331.412 3.472 10 10 EGCERO Cc1nc(C)n(C[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)n1 ZINC000121952872 454499225 /nfs/dbraw/zinc/49/92/25/454499225.db2.gz LHIJLGJIVJVTJP-AWEZNQCLSA-N 1 0 334.851 3.166 10 10 EGCERO CCOc1cccc(C[N@@H+]2CC[C@H](CNc3ccccn3)C2)c1O ZINC000092812618 454638530 /nfs/dbraw/zinc/63/85/30/454638530.db2.gz GOEYYWVYBLTSJZ-OAHLLOKOSA-N 1 0 327.428 3.120 10 10 EGCERO Cc1nc(C)n(C[C@H]2CCC[N@H+](Cc3cc(C)c(C)cc3O)C2)n1 ZINC000152713152 454716299 /nfs/dbraw/zinc/71/62/99/454716299.db2.gz MUDYRZAEHZIGIA-KRWDZBQOSA-N 1 0 328.460 3.130 10 10 EGCERO COc1ccc(O)c([C@H](C)[NH2+][C@H](Cc2ccccc2)CN(C)C)c1 ZINC000185091634 455499584 /nfs/dbraw/zinc/49/95/84/455499584.db2.gz KULYXGMYJHOHQE-DOTOQJQBSA-N 1 0 328.456 3.224 10 10 EGCERO COc1ccc(O)c([C@H](C)[NH2+][C@@H](Cc2ccccc2)CN(C)C)c1 ZINC000185091597 455499662 /nfs/dbraw/zinc/49/96/62/455499662.db2.gz KULYXGMYJHOHQE-RDJZCZTQSA-N 1 0 328.456 3.224 10 10 EGCERO Cc1cc(C(=O)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)c(C)n1-c1ccccc1C ZINC000129659587 455120072 /nfs/dbraw/zinc/12/00/72/455120072.db2.gz KMYGEUIIAUKGFT-JWTNVVGKSA-N 1 0 337.467 3.415 10 10 EGCERO Cc1ccc(N2CCC[N@H+](Cc3cc(Cl)cc(C)c3O)CC2)nn1 ZINC000180078698 455128007 /nfs/dbraw/zinc/12/80/07/455128007.db2.gz WDHKXEHXMOVYSV-UHFFFAOYSA-N 1 0 346.862 3.165 10 10 EGCERO COc1cc(O)c(C[N@@H+]2CCC[C@@H]2c2c(C)nn(C)c2C)cc1OC ZINC000180136102 455137891 /nfs/dbraw/zinc/13/78/91/455137891.db2.gz KFNHBJKGPUFOQM-OAHLLOKOSA-N 1 0 345.443 3.097 10 10 EGCERO CCOc1ccc(O)c(C[N@H+]2C[C@@H](c3ccsc3)[C@H](CO)C2)c1 ZINC000190296336 455294886 /nfs/dbraw/zinc/29/48/86/455294886.db2.gz YPLHWJUPSHOXMP-RDJZCZTQSA-N 1 0 333.453 3.060 10 10 EGCERO C[C@H]([NH2+][C@@H](CO)C[C@H](O)C(C)(C)C)c1cc2c(cc1O)CCCC2 ZINC000284290370 455663008 /nfs/dbraw/zinc/66/30/08/455663008.db2.gz KFRIJFLQVVGFLJ-CRFBAAHOSA-N 1 0 335.488 3.080 10 10 EGCERO C[C@H]([NH2+][C@@H](CO)C[C@@H](O)C(C)(C)C)c1cc2c(cc1O)CCCC2 ZINC000284290376 455663117 /nfs/dbraw/zinc/66/31/17/455663117.db2.gz KFRIJFLQVVGFLJ-URKNILKWSA-N 1 0 335.488 3.080 10 10 EGCERO Cc1ccc(C(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)c(O)c1O ZINC000248407307 455713444 /nfs/dbraw/zinc/71/34/44/455713444.db2.gz CVAXFLNCPIHJFH-CVEARBPZSA-N 1 0 346.471 3.133 10 10 EGCERO CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2cc(OC)ccc2O)C12CCOCC2 ZINC000186317812 455741186 /nfs/dbraw/zinc/74/11/86/455741186.db2.gz AVDNVORTVXFZPI-MORSLUCNSA-N 1 0 335.444 3.026 10 10 EGCERO CC(C)(C)OC(=O)N1CC[C@H]2C[N@H+](Cc3ccccc3O)CC[C@@H]21 ZINC000292781249 455756703 /nfs/dbraw/zinc/75/67/03/455756703.db2.gz LLBCSRJJSHODDU-HOCLYGCPSA-N 1 0 332.444 3.224 10 10 EGCERO COc1c(O)c(C[N@@H+]2CC[C@H](C(F)(F)F)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000294980162 455834856 /nfs/dbraw/zinc/83/48/56/455834856.db2.gz JSLPJXZKWNXJME-ONGXEEELSA-N 1 0 348.321 3.472 10 10 EGCERO CCOc1ccc(O)c(C[NH2+][C@H]2CCOC3(CCSCC3)C2)c1 ZINC000269323709 455835459 /nfs/dbraw/zinc/83/54/59/455835459.db2.gz JZFLVUYZEYPMJZ-HNNXBMFYSA-N 1 0 337.485 3.325 10 10 EGCERO COC1CCN(c2ccc(C[N@H+](C)[C@H]3CC[C@H](O)CC3)cc2)CC1 ZINC000295862936 455861579 /nfs/dbraw/zinc/86/15/79/455861579.db2.gz CABDLVNRVHKEMR-UAPYVXQJSA-N 1 0 332.488 3.037 10 10 EGCERO Cc1cc(Cl)cc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@H](CO)C2)c1O ZINC000289593683 456132146 /nfs/dbraw/zinc/13/21/46/456132146.db2.gz KMVDSYWRNLIWGN-AAEUAGOBSA-N 1 0 337.769 3.347 10 10 EGCERO CC[C@H]([NH2+][C@@H]1CCN(Cc2ccc(F)cc2)C1=O)c1ccccc1O ZINC000189033858 456204799 /nfs/dbraw/zinc/20/47/99/456204799.db2.gz ZIFCFPZDRUOKEF-ZWKOTPCHSA-N 1 0 342.414 3.373 10 10 EGCERO CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@H](Cc3ccncc3)C2)c1O ZINC000375154285 457813557 /nfs/dbraw/zinc/81/35/57/457813557.db2.gz SNDIBJDFEXAYOY-OAHLLOKOSA-N 1 0 328.387 3.194 10 10 EGCERO Cc1cc(Cl)cc(C[NH+]2CCC([C@H](O)c3ncc[nH]3)CC2)c1O ZINC000369143352 458100232 /nfs/dbraw/zinc/10/02/32/458100232.db2.gz LNAJUOPSDUCGIT-INIZCTEOSA-N 1 0 335.835 3.023 10 10 EGCERO C[C@H](N[C@H]1CC[NH2+]C12CCC2)c1ccc(Br)cc1O ZINC000530213604 458718091 /nfs/dbraw/zinc/71/80/91/458718091.db2.gz ATNIGUDISBYYFT-HZMBPMFUSA-N 1 0 325.250 3.090 10 10 EGCERO Cc1cc(Br)cc([C@@H](C)N[C@@H]2CC[NH2+]C23CCC3)c1O ZINC000530217236 458719308 /nfs/dbraw/zinc/71/93/08/458719308.db2.gz SJPAETLHJXJWTF-BXUZGUMPSA-N 1 0 339.277 3.398 10 10 EGCERO COc1ccc(CN2CC[C@H]2C[NH2+][C@H](C)c2cc(F)ccc2O)cc1 ZINC000527963776 459784136 /nfs/dbraw/zinc/78/41/36/459784136.db2.gz BVPMAIFGLGSBHX-PBHICJAKSA-N 1 0 344.430 3.465 10 10 EGCERO COc1cc(O)c(C[NH2+][C@@H]2[C@H]3Cc4cc(Cl)ccc4[C@@H]23)cc1OC ZINC000529643894 459831816 /nfs/dbraw/zinc/83/18/16/459831816.db2.gz VYJXIVVTVFSVBY-GDIGMMSISA-N 1 0 345.826 3.491 10 10 EGCERO Cc1cc(Cl)cc(C[NH2+]C[C@@H]2c3ccccc3C(=O)N2C)c1O ZINC000529668604 459833337 /nfs/dbraw/zinc/83/33/37/459833337.db2.gz HTVPVEBDMPBPDL-MRXNPFEDSA-N 1 0 330.815 3.271 10 10 EGCERO COc1ccc(N2CCC([NH2+]Cc3ccc4[nH]cnc4c3)CC2)cc1 ZINC000727470165 574669781 /nfs/dbraw/zinc/66/97/81/574669781.db2.gz GAWDVLACZUVKTP-UHFFFAOYSA-N 1 0 336.439 3.330 10 10 EGCERO COc1ccc(O)c([C@H](C)NC(=O)NCC[NH+]2[C@H](C)CCC[C@H]2C)c1 ZINC000730825495 575025396 /nfs/dbraw/zinc/02/53/96/575025396.db2.gz DYRYMEWGJAKMMN-KFWWJZLASA-N 1 0 349.475 3.024 10 10 EGCERO C[C@@H]1C[C@@H]1N1C[C@H]([NH2+]Cc2cc(-c3ccccc3)ccc2O)CC1=O ZINC000742386743 576777628 /nfs/dbraw/zinc/77/76/28/576777628.db2.gz AKKZSLAMCVQJSF-ZMYBRWDISA-N 1 0 336.435 3.158 10 10 EGCERO CCCN(CCC)c1ccc(C[NH2+]C2CCN(C(C)=O)CC2)cc1 ZINC000743763675 576815578 /nfs/dbraw/zinc/81/55/78/576815578.db2.gz LAOWFVZDTLLJKP-UHFFFAOYSA-N 1 0 331.504 3.414 10 10 EGCERO Cc1[nH+]c(/C=C2\SC(N3CCCCC3)=NC2=O)c2ccccn12 ZINC000032077596 1291376726 /nfs/dbraw/zinc/37/67/26/1291376726.db2.gz NZMCIAXOPMNTMQ-PTNGSMBKSA-N 1 0 326.425 3.099 10 10 EGCERO C[C@@H]([NH2+]CCC[C@H]1CCOC1=O)c1cc(Br)ccc1O ZINC000872111309 1296738439 /nfs/dbraw/zinc/73/84/39/1296738439.db2.gz CKZMRROGSIIXGC-MNOVXSKESA-N 1 0 342.233 3.149 10 10 EGCERO C[C@H]1C[C@H](NCc2ccc(O)c(O)c2)CC[N@@H+]1Cc1ccccc1 ZINC000379631121 1297535072 /nfs/dbraw/zinc/53/50/72/1297535072.db2.gz RBPOZVUYNGWLDG-MAUKXSAKSA-N 1 0 326.440 3.241 10 10 EGCERO CC[NH+](CC)C[C@@H](O)CNc1ccccc1OCc1ccccc1 ZINC000383225752 1297567731 /nfs/dbraw/zinc/56/77/31/1297567731.db2.gz BBEXLYJLAUYEDS-SFHVURJKSA-N 1 0 328.456 3.380 10 10 EGCERO CCCO[C@H]1CC[N@H+](Cc2cc(Br)cc(C)c2O)C1 ZINC000701673695 1298189589 /nfs/dbraw/zinc/18/95/89/1298189589.db2.gz PQTLIDOAKYUUNJ-AWEZNQCLSA-N 1 0 328.250 3.464 10 10 EGCERO COC1CCN(c2ccc(C[NH2+][C@@H]3CCC[C@]34CCCO4)cc2)CC1 ZINC000880503716 1301141600 /nfs/dbraw/zinc/14/16/00/1301141600.db2.gz QQYUOFUYDUXLBF-RTWAWAEBSA-N 1 0 344.499 3.493 10 10 EGCERO COC(=O)c1c(C[NH2+]C[C@H]2CCCS2)c2cc(F)ccc2n1C ZINC000894330824 1306346461 /nfs/dbraw/zinc/34/64/61/1306346461.db2.gz WHMXEFDHZUTPKF-GFCCVEGCSA-N 1 0 336.432 3.089 10 10 EGCERO COc1cc(C)cc(C[NH2+][C@@H]2CCO[C@@H](c3cccnc3)C2)c1O ZINC000894905821 1309122471 /nfs/dbraw/zinc/12/24/71/1309122471.db2.gz GRLVBRQFIZVDHL-IAGOWNOFSA-N 1 0 328.412 3.114 10 10 EGCERO CC(C)[N@@H+]1CCC[C@H](CNC(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC000895975100 1309622693 /nfs/dbraw/zinc/62/26/93/1309622693.db2.gz SHHMITMUBZDYMF-GFCCVEGCSA-N 1 0 348.468 3.163 10 10 EGCERO CC(=O)c1c(F)cncc1NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000897522629 1310362117 /nfs/dbraw/zinc/36/21/17/1310362117.db2.gz NGFXUVPHDBNGMP-SFHVURJKSA-N 1 0 344.434 3.204 10 10 EGCERO O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)c1cc2cc(O)c(O)cc2s1 ZINC000897576909 1310390990 /nfs/dbraw/zinc/39/09/90/1310390990.db2.gz PRSVBHLEDNMIJM-ZDUSSCGKSA-N 1 0 346.452 3.059 10 10 EGCERO CC(C)C[N@H+](C)CCCNC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000898264930 1310652962 /nfs/dbraw/zinc/65/29/62/1310652962.db2.gz QEMDUSSGYKMRAO-UHFFFAOYSA-N 1 0 336.457 3.020 10 10 EGCERO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC000898579183 1310795022 /nfs/dbraw/zinc/79/50/22/1310795022.db2.gz ORMQIUWVPCKLNV-LLVKDONJSA-N 1 0 348.468 3.163 10 10 EGCERO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC000898579185 1310795032 /nfs/dbraw/zinc/79/50/32/1310795032.db2.gz ORMQIUWVPCKLNV-NSHDSACASA-N 1 0 348.468 3.163 10 10 EGCERO CN(C)c1ccc(/C=C\C[NH2+]CC2CCN(CC(F)F)CC2)cc1 ZINC000857784723 1328596687 /nfs/dbraw/zinc/59/66/87/1328596687.db2.gz UAUYVDPJFLAZAW-ARJAWSKDSA-N 1 0 337.458 3.333 10 10 EGCERO CCN(C)c1ccc(C[N@@H+]2CC[C@H](Oc3ccc(C)cn3)C2)cc1 ZINC000858039831 1328667897 /nfs/dbraw/zinc/66/78/97/1328667897.db2.gz JXUGQKWFGLQFBF-IBGZPJMESA-N 1 0 325.456 3.499 10 10 EGCERO COc1cnccc1[C@H](C)[NH2+]Cc1c(O)cccc1Br ZINC000858158514 1328699226 /nfs/dbraw/zinc/69/92/26/1328699226.db2.gz JVHHCWRQHLNLAB-JTQLQIEISA-N 1 0 337.217 3.409 10 10 EGCERO CCOCc1cc(C[NH2+]C[C@@H]2Cc3ccccc3CO2)ccc1OC ZINC000858210590 1328712082 /nfs/dbraw/zinc/71/20/82/1328712082.db2.gz BDXXRVKGQGLPQT-FQEVSTJZSA-N 1 0 341.451 3.463 10 10 EGCERO C[C@@H]([NH2+]Cc1c(C(F)(F)F)cnn1C)c1ccc(N(C)C)cc1 ZINC000858453856 1328766076 /nfs/dbraw/zinc/76/60/76/1328766076.db2.gz YSCUDECUATYPOH-LLVKDONJSA-N 1 0 326.366 3.356 10 10 EGCERO CO[C@H]1C[C@@H](C[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2Cl)C1 ZINC000858593145 1328804088 /nfs/dbraw/zinc/80/40/88/1328804088.db2.gz UIELIIAPFVZVLA-OFQRWUPVSA-N 1 0 338.879 3.252 10 10 EGCERO CCN(CC)c1ccc(CNC(=O)NCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000918206656 1319933586 /nfs/dbraw/zinc/93/35/86/1319933586.db2.gz KZSYPOIQPUDDJG-KRWDZBQOSA-N 1 0 346.519 3.206 10 10 EGCERO COc1ccc(N2CC[C@H](C[NH2+][C@@H]3CC[C@H]4COCC[C@@H]4C3)C2)cc1 ZINC000922197458 1322476978 /nfs/dbraw/zinc/47/69/78/1322476978.db2.gz UKGXTELELXTLBN-AKHDSKFASA-N 1 0 344.499 3.316 10 10 EGCERO COc1cc(C[NH2+]C[C@]2(OC)CCSC2)c(O)c(C(C)(C)C)c1 ZINC000922571839 1322559652 /nfs/dbraw/zinc/55/96/52/1322559652.db2.gz YBQNSLLJOKWDAA-GOSISDBHSA-N 1 0 339.501 3.310 10 10 EGCERO Clc1ccnc2c1CC[C@H]2[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000924750953 1323145498 /nfs/dbraw/zinc/14/54/98/1323145498.db2.gz HSTAYXNXBZXTAM-GOSISDBHSA-N 1 0 343.858 3.349 10 10 EGCERO OCC1CCN(c2ccc(C[NH2+][C@H]3C[C@H]4C=C[C@@H]3CC4)cc2)CC1 ZINC000924762155 1323149597 /nfs/dbraw/zinc/14/95/97/1323149597.db2.gz YGRBZJQEQMAOOD-SCWSEQNSSA-N 1 0 326.484 3.340 10 10 EGCERO C[C@H]([NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1)c1ccnnc1 ZINC000924905193 1323207121 /nfs/dbraw/zinc/20/71/21/1323207121.db2.gz GKCLRZXPCKIWDD-ZDUSSCGKSA-N 1 0 348.397 3.398 10 10 EGCERO C[C@H]([NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccnnc1 ZINC000925158652 1325068958 /nfs/dbraw/zinc/06/89/58/1325068958.db2.gz DCKIYGHKYCKTOF-DZGCQCFKSA-N 1 0 348.397 3.398 10 10 EGCERO CC1(C)CC2(CC([NH2+]Cc3ccc(N4CCC(O)CC4)cc3)C2)CO1 ZINC000926724798 1327684781 /nfs/dbraw/zinc/68/47/81/1327684781.db2.gz MRGODPAEIDBWOD-UHFFFAOYSA-N 1 0 344.499 3.085 10 10 EGCERO CCS(=O)(=O)c1ccccc1CC[NH2+][C@H](C)c1ccccc1O ZINC000926908293 1327769301 /nfs/dbraw/zinc/76/93/01/1327769301.db2.gz HYJJEHGDPVQESU-CQSZACIVSA-N 1 0 333.453 3.079 10 10 EGCERO C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC3(CCOCC3)O2)c2c1c(F)ccc2O ZINC000927013022 1327820089 /nfs/dbraw/zinc/82/00/89/1327820089.db2.gz JCWPEZQBRWXDRS-VNHYZAJKSA-N 1 0 335.419 3.397 10 10 EGCERO C[C@@H]([NH2+]C1CCC(C)([NH+]2CCC2)CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000927038076 1327826317 /nfs/dbraw/zinc/82/63/17/1327826317.db2.gz MJOPILVIFBMYSX-WRSVWVKZSA-N 1 0 333.432 3.358 10 10 EGCERO CC[C@H]([NH2+]C[C@@H]1CCN1C1CCOCC1)c1ccc(N(C)C)cc1 ZINC000927109942 1327870996 /nfs/dbraw/zinc/87/09/96/1327870996.db2.gz OSILEIGTWJDIES-PMACEKPBSA-N 1 0 331.504 3.047 10 10 EGCERO COc1ccc(O)c([C@@H](C)[NH2+][C@H]2C[C@@](CO)(c3ccccc3)C2)c1 ZINC000927159020 1327898893 /nfs/dbraw/zinc/89/88/93/1327898893.db2.gz YKTJWDVSGUCPFP-KKVAFCGZSA-N 1 0 327.424 3.144 10 10 EGCERO C[C@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)C1CC(F)(F)C1 ZINC000862271837 1329473086 /nfs/dbraw/zinc/47/30/86/1329473086.db2.gz DOHNMMSSMKNJIN-LBPRGKRZSA-N 1 0 328.378 3.186 10 10 EGCERO C[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1)C1CC(F)(F)C1 ZINC000862275697 1329473459 /nfs/dbraw/zinc/47/34/59/1329473459.db2.gz YDUBBUOZXIAPDX-GFCCVEGCSA-N 1 0 342.405 3.310 10 10 EGCERO Cc1cccc(C[NH+]2CCN(Cc3cc4ccccc4[nH]3)CC2)c1O ZINC000862535207 1329493518 /nfs/dbraw/zinc/49/35/18/1329493518.db2.gz WZMUZELRWBBGPJ-UHFFFAOYSA-N 1 0 335.451 3.500 10 10 EGCERO CCC1(N2CCOCC2)CC[NH+](Cc2ccc(N(C)C)cc2C)CC1 ZINC000862536217 1329493577 /nfs/dbraw/zinc/49/35/77/1329493577.db2.gz INLXNNJQFUMAIQ-UHFFFAOYSA-N 1 0 345.531 3.138 10 10 EGCERO C[C@@H]([NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)c1ccnn1C ZINC000865839776 1329744128 /nfs/dbraw/zinc/74/41/28/1329744128.db2.gz SJZVXUDAHZAMLL-CQSZACIVSA-N 1 0 343.431 3.169 10 10 EGCERO C[C@H]([NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)c1ccnn1C ZINC000865839775 1329744184 /nfs/dbraw/zinc/74/41/84/1329744184.db2.gz SJZVXUDAHZAMLL-AWEZNQCLSA-N 1 0 343.431 3.169 10 10 EGCERO C[C@H]([NH2+][C@H]1C[C@@H](C)O[C@H]1C)c1ccc(N2CCOCC2)cc1Cl ZINC000866443399 1330113338 /nfs/dbraw/zinc/11/33/38/1330113338.db2.gz LTTDEGOVKBLOMB-COJSNBRMSA-N 1 0 338.879 3.393 10 10 EGCERO CC[C@H](C[C@@H](C)O)[NH2+][C@@H](C)c1cc(Br)cc(OC)c1O ZINC000866633234 1330136098 /nfs/dbraw/zinc/13/60/98/1330136098.db2.gz GVXBSXCPVBQTOS-JFGNBEQYSA-N 1 0 346.265 3.363 10 10 EGCERO COc1ccc(C[NH2+]C[C@]2(C)CCN(C(=O)[C@H](C)C3CC3)C2)cc1C ZINC001324705220 1387744266 /nfs/dbraw/zinc/74/42/66/1387744266.db2.gz DSWWVLHAQWICEZ-IERDGZPVSA-N 1 0 344.499 3.378 10 10 EGCERO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]C[C@H](C)N1C[C@@H](C)O[C@@H](C)C1 ZINC001118325253 1371163980 /nfs/dbraw/zinc/16/39/80/1371163980.db2.gz GCUKTUGXHKCQBD-ALYAQQCSSA-N 1 0 332.488 3.336 10 10 EGCERO CC[C@@H]([NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1)[C@H]1CCCCO1 ZINC001118390577 1371172080 /nfs/dbraw/zinc/17/20/80/1371172080.db2.gz VWQLPNDZUOQGKW-UYAOXDASSA-N 1 0 349.494 3.015 10 10 EGCERO CO[C@H](CC[NH2+]Cc1c(O)cccc1Br)C(F)(F)F ZINC001118860445 1371242654 /nfs/dbraw/zinc/24/26/54/1371242654.db2.gz TTWYJXXKWYXLQD-LLVKDONJSA-N 1 0 342.155 3.212 10 10 EGCERO CN1CCN(c2ccc(C[NH2+]CC3CCC(F)CC3)cc2F)CC1 ZINC001326216295 1388128649 /nfs/dbraw/zinc/12/86/49/1388128649.db2.gz JVZKDJLRTGHFBY-UHFFFAOYSA-N 1 0 337.458 3.195 10 10 EGCERO CC(C)[C@]1(C)C[C@H]1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001134686138 1376658013 /nfs/dbraw/zinc/65/80/13/1376658013.db2.gz BCOVXFRLXQPHEE-BJLQDIEVSA-N 1 0 331.504 3.154 10 10 EGCERO COc1ccc(C[NH2+][C@H](C)CCNC(=O)c2ccc(F)cc2)cc1C ZINC001266122768 1377197964 /nfs/dbraw/zinc/19/79/64/1377197964.db2.gz VRBDDHILVSHJMY-OAHLLOKOSA-N 1 0 344.430 3.441 10 10 EGCERO CCCC[NH2+]C[C@@H]1CCCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001266826574 1377387112 /nfs/dbraw/zinc/38/71/12/1377387112.db2.gz TVJQRLXQYVCDOW-AWEZNQCLSA-N 1 0 345.447 3.091 10 10 EGCERO COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)C[C@H](C)SC)cc1C ZINC001283596806 1379042785 /nfs/dbraw/zinc/04/27/85/1379042785.db2.gz ACXKRSLHWZRSNN-GJZGRUSLSA-N 1 0 338.517 3.082 10 10 EGCERO O=C(NCc1ccc(N2CCCCC2)cc1)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001299788261 1383628580 /nfs/dbraw/zinc/62/85/80/1383628580.db2.gz GJJVSKYDEWBJPT-UXHICEINSA-N 1 0 341.499 3.310 10 10 EGCERO CCOc1ccc(N2CC[NH+](C[C@@H]3CCC(C)(C)CO3)CC2)cc1 ZINC001168332568 1383875139 /nfs/dbraw/zinc/87/51/39/1383875139.db2.gz ZLNJRYGHEMONCQ-IBGZPJMESA-N 1 0 332.488 3.413 10 10 EGCERO CCC(C)(C)[NH+]1CCN(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)CC1 ZINC001312532554 1384355545 /nfs/dbraw/zinc/35/55/45/1384355545.db2.gz SUHPAPADGPBOID-MRXNPFEDSA-N 1 0 346.519 3.329 10 10 EGCERO Cc1noc([C@H]2OCC[C@H]2[NH2+][C@H]2C[C@H](C)c3c2c(O)ccc3C)n1 ZINC001329191724 1389014858 /nfs/dbraw/zinc/01/48/58/1389014858.db2.gz PGKCFPAFMRUMAI-IMODNSLOSA-N 1 0 329.400 3.060 10 10 EGCERO CC[NH+](CC)C1CCN(C(=O)c2cc3cc(O)c(O)cc3s2)CC1 ZINC001332754282 1390181062 /nfs/dbraw/zinc/18/10/62/1390181062.db2.gz FBNADDMOUSUQGK-UHFFFAOYSA-N 1 0 348.468 3.259 10 10 EGCERO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H](C)C(C)(F)F)C2)cc1C ZINC001480223677 1392626996 /nfs/dbraw/zinc/62/69/96/1392626996.db2.gz HRGUHGSDNVATJP-AEGPPILISA-N 1 0 340.414 3.032 10 10 EGCERO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)CC2CC(C)(C)C2)cc1C ZINC001497889698 1396873090 /nfs/dbraw/zinc/87/30/90/1396873090.db2.gz MXNOHQHWPGERJD-OAHLLOKOSA-N 1 0 332.488 3.424 10 10 EGCERO CC[C@@H](CNC(=O)c1ccc(C)nc1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001732193122 1428444596 /nfs/dbraw/zinc/44/45/96/1428444596.db2.gz WQRYVQGXTPFCLT-SFHVURJKSA-N 1 0 341.455 3.005 10 10 EGCERO COc1ccc(C[NH2+]C[C@@H](C)CNC(=O)c2cc(Cl)c[nH]2)cc1C ZINC001732332839 1428538528 /nfs/dbraw/zinc/53/85/28/1428538528.db2.gz HXCOXQDDELYJBU-GFCCVEGCSA-N 1 0 349.862 3.141 10 10 EGCERO COc1ccc(C[NH2+]C[C@H](C)CNC(=O)c2coc(C)c2)cc1C ZINC001732339138 1428540626 /nfs/dbraw/zinc/54/06/26/1428540626.db2.gz MSMYPYUKNDOFDG-ZDUSSCGKSA-N 1 0 330.428 3.061 10 10 EGCERO COc1ccc(C[NH2+]C[C@H](C)CNC(=O)Cc2ccccc2)cc1C ZINC001732350862 1428544558 /nfs/dbraw/zinc/54/45/58/1428544558.db2.gz RPRKAATWSKODMY-INIZCTEOSA-N 1 0 340.467 3.088 10 10 EGCERO COc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)C2(C)CC=CC2)cc1C ZINC001732438812 1428581211 /nfs/dbraw/zinc/58/12/11/1428581211.db2.gz YAHOUESHPYUMPQ-MRXNPFEDSA-N 1 0 330.472 3.296 10 10 EGCERO CCN(CC[NH2+]Cc1ccc(OC)c(C)c1)C(=O)c1cnc(C)s1 ZINC001699174838 1412552964 /nfs/dbraw/zinc/55/29/64/1412552964.db2.gz JZGQSNPLTUJGMN-UHFFFAOYSA-N 1 0 347.484 3.020 10 10 EGCERO CCc1ccccc1C(=O)N[C@H](C)C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001699375957 1412682999 /nfs/dbraw/zinc/68/29/99/1412682999.db2.gz CAZTYPXSPVSBRS-MRXNPFEDSA-N 1 0 340.467 3.474 10 10 EGCERO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)C2CCC=CCC2)cc1C ZINC001699390734 1412705172 /nfs/dbraw/zinc/70/51/72/1412705172.db2.gz DIVLMRIZACAKEW-MRXNPFEDSA-N 1 0 330.472 3.344 10 10 EGCERO COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)c2cc(C)sn2)cc1C ZINC001700746676 1414415357 /nfs/dbraw/zinc/41/53/57/1414415357.db2.gz UULCPQBHKOAIHY-CYBMUJFWSA-N 1 0 347.484 3.019 10 10 EGCERO COc1ccc(C[NH2+]CC[C@H](C)NC(=O)CC(C)(F)F)cc1C ZINC001732727867 1428931128 /nfs/dbraw/zinc/93/11/28/1428931128.db2.gz ZRKSZBNGWGMXAU-ZDUSSCGKSA-N 1 0 328.403 3.033 10 10 EGCERO COc1ccc(C[NH2+][C@@H](C)CNC(=O)[C@H]2CC[C@@H]3C[C@@H]3CC2)cc1C ZINC001713326605 1417951670 /nfs/dbraw/zinc/95/16/70/1417951670.db2.gz CBRYREUGTGRYOL-KANFNMMFSA-N 1 0 344.499 3.424 10 10 EGCERO CCc1ccccc1C(=O)NC[C@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001713332812 1417957127 /nfs/dbraw/zinc/95/71/27/1417957127.db2.gz NERXARLXGRTGOR-INIZCTEOSA-N 1 0 340.467 3.474 10 10 EGCERO COc1ccc(C[NH2+][C@@H](CNC(=O)CC2CCC2)C2CC2)cc1C ZINC001713860348 1418657696 /nfs/dbraw/zinc/65/76/96/1418657696.db2.gz FCVQYSVKSUKKPG-SFHVURJKSA-N 1 0 330.472 3.178 10 10 EGCERO COc1ccc(C[NH2+][C@H](CNC(=O)C(C)=C2CCC2)C2CC2)cc1C ZINC001713864752 1418662030 /nfs/dbraw/zinc/66/20/30/1418662030.db2.gz NZZXTURDUUPTSW-LJQANCHMSA-N 1 0 342.483 3.488 10 10 EGCERO COc1ccc(C[NH2+][C@H](C)CNC(=O)Cc2ccc(C)cc2)cc1C ZINC001714252137 1419037423 /nfs/dbraw/zinc/03/74/23/1419037423.db2.gz QCJJZLNBCXRKQY-QGZVFWFLSA-N 1 0 340.467 3.149 10 10 EGCERO COc1ccc(C[NH2+]C[C@@H](C)CNC(=O)C23CCC(CC2)C3)cc1C ZINC001714406403 1419147599 /nfs/dbraw/zinc/14/75/99/1419147599.db2.gz FUNNJYXTJWDTAV-FPPRHVDESA-N 1 0 344.499 3.426 10 10 EGCERO COc1ccc(C[NH2+]C2(CNC(=O)c3cc[nH]c3)CCCC2)cc1C ZINC001714493277 1419217066 /nfs/dbraw/zinc/21/70/66/1419217066.db2.gz NCSCFXKLTLPOGQ-UHFFFAOYSA-N 1 0 341.455 3.164 10 10 EGCERO COc1ccc(C[NH2+]CCN(C)C(=O)C[C@H]2CC[C@H](C)C2)cc1C ZINC001714747192 1419492419 /nfs/dbraw/zinc/49/24/19/1419492419.db2.gz QYNFJMPOGDIJEH-RDJZCZTQSA-N 1 0 332.488 3.378 10 10 EGCERO COc1ccc(C[NH2+]C[C@@H](CC(C)C)NC(=O)c2ccc[nH]2)cc1C ZINC001714909059 1419654196 /nfs/dbraw/zinc/65/41/96/1419654196.db2.gz WBSMDFHQGMRGKB-QGZVFWFLSA-N 1 0 343.471 3.266 10 10 EGCERO COc1ccc(C[NH2+]C[C@H](C)NC(=O)c2ccc(F)c(F)c2)cc1C ZINC001716440018 1420660178 /nfs/dbraw/zinc/66/01/78/1420660178.db2.gz LPLZOMCGPNMUBI-ZDUSSCGKSA-N 1 0 348.393 3.190 10 10 EGCERO COc1ccc(C[NH2+]C[C@H](NC(=O)[C@H]2CC=CCC2)C2CC2)cc1C ZINC001716605072 1420772890 /nfs/dbraw/zinc/77/28/90/1420772890.db2.gz QHYCMBWGUWQSKO-OALUTQOASA-N 1 0 342.483 3.344 10 10 EGCERO COc1ccc(C[NH2+]C[C@H](NC(=O)/C=C(\C)C2CC2)C2CC2)cc1C ZINC001716605160 1420773185 /nfs/dbraw/zinc/77/31/85/1420773185.db2.gz RFELNODNDZJSQR-VUVZNRFTSA-N 1 0 342.483 3.344 10 10 EGCERO COc1ccc(C[NH2+]C2(CNC(=O)c3ccccc3)CCC2)cc1C ZINC001724781056 1425145852 /nfs/dbraw/zinc/14/58/52/1425145852.db2.gz VIBDCSJGWXEREZ-UHFFFAOYSA-N 1 0 338.451 3.446 10 10 EGCERO COc1ccc(C[NH2+]C[C@@H](C2CC2)N(C)C(=O)c2ccco2)cc1C ZINC001734291642 1438021622 /nfs/dbraw/zinc/02/16/22/1438021622.db2.gz FCKCAHMWNNUADA-KRWDZBQOSA-N 1 0 342.439 3.237 10 10 EGCERO COc1ccc(C[NH2+]C[C@H](C2CC2)N(C)C(=O)C2(C)CC2)cc1C ZINC001734300454 1438032095 /nfs/dbraw/zinc/03/20/95/1438032095.db2.gz JGGHODVDTLCWKT-QGZVFWFLSA-N 1 0 330.472 3.130 10 10 EGCERO COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)Cc2occc2C)cc1C ZINC001734346705 1438065599 /nfs/dbraw/zinc/06/55/99/1438065599.db2.gz XKINTSFCOZQESR-MRXNPFEDSA-N 1 0 344.455 3.084 10 10 EGCERO CC(C)C[N@H+](C)CCN(C(=O)c1ccc(N=NC(N)=O)cc1)C(C)C ZINC001734553505 1438152242 /nfs/dbraw/zinc/15/22/42/1438152242.db2.gz ULABZQPUELKCJF-UHFFFAOYSA-N 1 0 347.463 3.287 10 10 EGCERO Cc1cc(C[NH2+][C@@](C)(CO)Cc2ccc(F)cc2)ccc1N(C)C ZINC001654940421 1126254671 /nfs/dbraw/zinc/25/46/71/1126254671.db2.gz MYTWXHHXIBYYJP-HXUWFJFHSA-N 1 0 330.447 3.283 10 10 EGCERO Cc1cc(Br)cc([C@@H](C)N[C@H]2CC[NH2+]C23CCC3)c1O ZINC000530217248 458719416 /nfs/dbraw/zinc/71/94/16/458719416.db2.gz SJPAETLHJXJWTF-RISCZKNCSA-N 1 0 339.277 3.398 10 10 EGCERO COc1ccc(N2CCC([NH2+]Cc3cn(C)nc3C(C)C)CC2)cc1 ZINC000071924586 454260747 /nfs/dbraw/zinc/26/07/47/454260747.db2.gz VUEZAFZCEIMIFX-UHFFFAOYSA-N 1 0 342.487 3.311 10 10 EGCERO O=C(c1ccccc1)N1CCC([NH2+]Cc2cc(Cl)ccc2O)CC1 ZINC000171128854 455034013 /nfs/dbraw/zinc/03/40/13/455034013.db2.gz XTDDHVFMNAUWEZ-UHFFFAOYSA-N 1 0 344.842 3.440 10 10 EGCERO Cc1cccc(C[N@H+](C)C[C@@H](c2cccs2)N2CCOCC2)c1O ZINC000180114657 455134645 /nfs/dbraw/zinc/13/46/45/455134645.db2.gz UPUJPNLRPBYXTH-KRWDZBQOSA-N 1 0 346.496 3.267 10 10 EGCERO COc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](n3cc(C)cn3)C2)c1O ZINC000184691044 455428852 /nfs/dbraw/zinc/42/88/52/455428852.db2.gz QBLMYXJCIMXSAX-OAHLLOKOSA-N 1 0 335.835 3.396 10 10 EGCERO C[C@H]([NH2+][C@@H]1CCC[C@@H]2OCC[C@@H]21)c1ccc(N2CCOCC2)c(F)c1 ZINC000246997334 455541059 /nfs/dbraw/zinc/54/10/59/455541059.db2.gz JRINUTZWQQUSCK-UQWBFEFOSA-N 1 0 348.462 3.271 10 10 EGCERO COc1ccc(O)c(C[NH2+]C2(c3ccc(F)cc3F)CCOCC2)c1 ZINC000182672713 455565793 /nfs/dbraw/zinc/56/57/93/455565793.db2.gz HVDOECFMJVIRGX-UHFFFAOYSA-N 1 0 349.377 3.475 10 10 EGCERO CCc1cc(N2CCC[C@@H]([NH2+][C@H](CC)c3ccccc3O)C2)ncn1 ZINC000248552290 455720277 /nfs/dbraw/zinc/72/02/77/455720277.db2.gz JBOWGAJYUAYZDR-SJLPKXTDSA-N 1 0 340.471 3.454 10 10 EGCERO CCO[C@@H]1C[C@@H]([NH2+]Cc2cccc(OC)c2O)[C@H]1Oc1ccccc1 ZINC000249466528 455757161 /nfs/dbraw/zinc/75/71/61/455757161.db2.gz SLCKYBXWOYZTLI-YVWKXTFCSA-N 1 0 343.423 3.115 10 10 EGCERO COc1ccc(F)c(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)c1 ZINC000293637426 455793507 /nfs/dbraw/zinc/79/35/07/455793507.db2.gz RMEZSZVFFHGJJN-UHFFFAOYSA-N 1 0 348.393 3.100 10 10 EGCERO COc1cc(Cl)cc(C[NH2+][C@@H]2CCO[C@@H](c3cccnc3)C2)c1O ZINC000295032936 455835977 /nfs/dbraw/zinc/83/59/77/455835977.db2.gz OCWWNDFYMOPLTE-HZPDHXFCSA-N 1 0 348.830 3.459 10 10 EGCERO Cc1ccncc1C[NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000279947107 455878463 /nfs/dbraw/zinc/87/84/63/455878463.db2.gz OEESBVMYHWVIGH-IYBDPMFKSA-N 1 0 343.446 3.433 10 10 EGCERO CCOc1cccc(C[NH2+]C[C@H](C)N(C)C(=O)OC(C)(C)C)c1O ZINC000282640972 456578129 /nfs/dbraw/zinc/57/81/29/456578129.db2.gz GYVVFSWFFKFCIH-ZDUSSCGKSA-N 1 0 338.448 3.136 10 10 EGCERO C[C@@H]1C[C@@]2(CCO1)CN(Cc1c([O-])ccc(Cl)c1F)C[C@H](C)O2 ZINC000366808220 457900637 /nfs/dbraw/zinc/90/06/37/457900637.db2.gz IPXYHXSOCFMIOQ-PEBVRCNWSA-N 1 0 343.826 3.343 10 10 EGCERO Oc1ccc(Br)cc1C[N@@H+]1CCC[C@@H](c2ccncn2)C1 ZINC000371411993 457916819 /nfs/dbraw/zinc/91/68/19/457916819.db2.gz RHGOZRAMFNDLGP-GFCCVEGCSA-N 1 0 348.244 3.324 10 10 EGCERO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCC[C@H]2C)C1 ZINC000435819654 458209487 /nfs/dbraw/zinc/20/94/87/458209487.db2.gz TWHJAXWXFIAQQI-MRXNPFEDSA-N 1 0 339.483 3.419 10 10 EGCERO Oc1cc2c(cc1C[NH2+]Cc1cccc(-c3cccnc3)c1)OCO2 ZINC000376627518 458357677 /nfs/dbraw/zinc/35/76/77/458357677.db2.gz NZZIIEPLSBWPHK-UHFFFAOYSA-N 1 0 334.375 3.473 10 10 EGCERO CC[C@H]1C[N@H+](Cc2c(O)ccc3ccccc32)C[C@@]2(CCOC2)O1 ZINC000373485444 458506552 /nfs/dbraw/zinc/50/65/52/458506552.db2.gz ZRNIJZFKBNOMRG-OXJNMPFZSA-N 1 0 327.424 3.315 10 10 EGCERO Oc1ccc(Br)cc1CNc1ccc2c(c1)OCC[NH2+]C2 ZINC000530181772 458711326 /nfs/dbraw/zinc/71/13/26/458711326.db2.gz NVDWRXFWSBYRCM-UHFFFAOYSA-N 1 0 349.228 3.249 10 10 EGCERO CC[NH2+][C@H](C)c1ccc(N2CCC(O)CC2)c(Br)c1 ZINC000061694371 535515805 /nfs/dbraw/zinc/51/58/05/535515805.db2.gz CTPOEFVMCKZQEB-LLVKDONJSA-N 1 0 327.266 3.081 10 10 EGCERO Cc1noc(C)c1CO[C@@H]1CC[N@@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000365838003 547778499 /nfs/dbraw/zinc/77/84/99/547778499.db2.gz MTNMOJGSKMIVHL-GOSISDBHSA-N 1 0 329.444 3.149 10 10 EGCERO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NCCC2CC2)C1 ZINC000435826733 547902775 /nfs/dbraw/zinc/90/27/75/547902775.db2.gz NIIKKEQEPDWXBD-UHFFFAOYSA-N 1 0 339.483 3.324 10 10 EGCERO FC(F)(F)c1cc(N2CCOCC2)ccc1C[NH2+]Cc1ccoc1 ZINC000727467351 574669260 /nfs/dbraw/zinc/66/92/60/574669260.db2.gz TVAVVTSNODTNTQ-UHFFFAOYSA-N 1 0 340.345 3.425 10 10 EGCERO Cc1cc(CCNC(=O)[C@H]2CCCC[N@H+]2C)c(C)n1-c1ccccc1 ZINC000737780061 574688322 /nfs/dbraw/zinc/68/83/22/574688322.db2.gz PNPCGFBENFYPFN-HXUWFJFHSA-N 1 0 339.483 3.237 10 10 EGCERO COC(=O)CN(CCc1ccccc1)Cc1cc(Cl)ccc1O ZINC000731845058 575211909 /nfs/dbraw/zinc/21/19/09/575211909.db2.gz PVGQGEJVDREBDP-UHFFFAOYSA-N 1 0 333.815 3.263 10 10 EGCERO CC[C@@H]1C[N@H+](Cc2c(O)c(C(=O)OC)cc3ccccc32)C[C@@H](C)O1 ZINC000732186154 575242784 /nfs/dbraw/zinc/24/27/84/575242784.db2.gz YIXDSXSSNGFEAY-UKRRQHHQSA-N 1 0 343.423 3.331 10 10 EGCERO COc1cccc(C[NH2+][C@@H](Cc2nccn2C)c2ccccc2)c1O ZINC000742387671 576777784 /nfs/dbraw/zinc/77/77/84/576777784.db2.gz IUBFBBPRRSGDFK-KRWDZBQOSA-N 1 0 337.423 3.208 10 10 EGCERO COc1cc(C)cc(C[N@@H+]2CCCN(c3ccccc3)CC2)c1O ZINC000164192856 1294345152 /nfs/dbraw/zinc/34/51/52/1294345152.db2.gz DFOATQRYNHHVSX-UHFFFAOYSA-N 1 0 326.440 3.422 10 10 EGCERO COc1ccc(-n2c(C)cc(C(=O)N(C)CCC[NH+](C)C)c2C)cc1 ZINC000181955235 1295008820 /nfs/dbraw/zinc/00/88/20/1295008820.db2.gz WCILBSTUVSBJKL-UHFFFAOYSA-N 1 0 343.471 3.126 10 10 EGCERO Oc1cc(OCc2ccccc2)ccc1C[NH+]1CCN(C2CC2)CC1 ZINC000182980459 1295088786 /nfs/dbraw/zinc/08/87/86/1295088786.db2.gz XWSMHIUFZCBWID-UHFFFAOYSA-N 1 0 338.451 3.251 10 10 EGCERO CC[C@H]([NH2+][C@H](C)c1ccc(N2CCOCC2)cc1)[C@H]1CCCOC1 ZINC000872026320 1296672642 /nfs/dbraw/zinc/67/26/42/1296672642.db2.gz COEIEXQXZCTGPA-KPFFTGBYSA-N 1 0 332.488 3.379 10 10 EGCERO COc1cc(C)cc(C[N@@H+]2C[C@H](c3ccccc3)[C@@](F)(CO)C2)c1O ZINC000894882049 1309113585 /nfs/dbraw/zinc/11/35/85/1309113585.db2.gz UOMAVBXHCRHQJN-XLIONFOSSA-N 1 0 345.414 3.009 10 10 EGCERO COC(=O)c1c(C[NH2+]C[C@@H](C)CC(F)F)c2cc(F)ccc2n1C ZINC000895076407 1309181663 /nfs/dbraw/zinc/18/16/63/1309181663.db2.gz OWTOAWFMRLHMGE-JTQLQIEISA-N 1 0 342.361 3.485 10 10 EGCERO COc1ccc(N2CC[C@@H]([NH2+][C@H]3CCCc4scnc43)C2)cc1 ZINC000858431577 1328760712 /nfs/dbraw/zinc/76/07/12/1328760712.db2.gz ZCYJCEJMSBDOKS-CJNGLKHVSA-N 1 0 329.469 3.398 10 10 EGCERO Cc1nnsc1[C@H](C)[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000930210493 1328812638 /nfs/dbraw/zinc/81/26/38/1328812638.db2.gz MVZZODFANOKZIL-STQMWFEESA-N 1 0 332.473 3.095 10 10 EGCERO Cc1cc(C(=O)NC[C@H]2CCC[N@H+]2C)c(C)n1-c1cccc(C)c1 ZINC000920474995 1322181832 /nfs/dbraw/zinc/18/18/32/1322181832.db2.gz YTQOICJFAASYQA-GOSISDBHSA-N 1 0 325.456 3.227 10 10 EGCERO FC(F)(F)[C@@H](C[NH2+]Cc1ccc2c(c1)CCCO2)n1cccn1 ZINC000922283357 1322492390 /nfs/dbraw/zinc/49/23/90/1322492390.db2.gz XXMCSXMLKUPHTE-OAHLLOKOSA-N 1 0 325.334 3.101 10 10 EGCERO CCCN(CCC)c1ccc(C[NH2+][C@@H]2CCc3nnn(C)c3C2)cc1 ZINC000922995835 1322671232 /nfs/dbraw/zinc/67/12/32/1322671232.db2.gz FZDWVUAOMIIOIO-QGZVFWFLSA-N 1 0 341.503 3.089 10 10 EGCERO COc1ccc(N2CCC([NH2+]C3([C@H]4CCCCO4)CC3)CC2)cc1 ZINC000923027376 1322677646 /nfs/dbraw/zinc/67/76/46/1322677646.db2.gz AYDYOAQLJLBDFE-LJQANCHMSA-N 1 0 330.472 3.355 10 10 EGCERO C[C@@H]([NH2+]Cc1ccc(N2CCC(CO)CC2)cc1)c1ccns1 ZINC000924761919 1323149425 /nfs/dbraw/zinc/14/94/25/1323149425.db2.gz XFCXASZSQCDIGR-CQSZACIVSA-N 1 0 331.485 3.203 10 10 EGCERO CCS(=O)(=O)c1ccccc1CC[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000926910761 1327771365 /nfs/dbraw/zinc/77/13/65/1327771365.db2.gz WAAKJKAECWIJDB-HNNXBMFYSA-N 1 0 347.480 3.388 10 10 EGCERO C[C@@H]([NH2+]C[C@@]1(C)CCCCO1)c1ccc(N2CCOCC2)c(F)c1 ZINC000927020808 1327824296 /nfs/dbraw/zinc/82/42/96/1327824296.db2.gz LRTIEGOJVUGRRU-DNVCBOLYSA-N 1 0 336.451 3.272 10 10 EGCERO CCc1noc([C@@H]2CC[C@H]([NH2+][C@@H](C)c3cccc(OC)c3O)C2)n1 ZINC000927057714 1327834162 /nfs/dbraw/zinc/83/41/62/1327834162.db2.gz PERNSQSLRXMAIT-XQQFMLRXSA-N 1 0 331.416 3.333 10 10 EGCERO COc1cccc([C@@H](C)[NH2+][C@H]2C[C@@](CO)(c3ccccc3)C2)c1O ZINC000927157718 1327898900 /nfs/dbraw/zinc/89/89/00/1327898900.db2.gz VYKSPXGJGBXMPP-KKVAFCGZSA-N 1 0 327.424 3.144 10 10 EGCERO CCC[N@H+](Cc1cccc(C(=O)OCC)n1)Cc1ccccc1O ZINC000862237454 1329469745 /nfs/dbraw/zinc/46/97/45/1329469745.db2.gz PRQWBRWJTLJVQL-UHFFFAOYSA-N 1 0 328.412 3.376 10 10 EGCERO Oc1cccc(Br)c1C[N@@H+]1CCC[C@H]2COCC[C@@H]21 ZINC000862252984 1329472019 /nfs/dbraw/zinc/47/20/19/1329472019.db2.gz YZKLRMJVCKOWIA-FZMZJTMJSA-N 1 0 326.234 3.156 10 10 EGCERO COc1ccc(N2CC[C@@H](C[NH2+]Cc3ccnc(F)c3C)C2)cc1 ZINC000862397935 1329482661 /nfs/dbraw/zinc/48/26/61/1329482661.db2.gz RAQDRHHYQFKQKU-HNNXBMFYSA-N 1 0 329.419 3.154 10 10 EGCERO COc1cc(Cl)cc(C[NH2+]Cc2c(C(F)(F)F)cnn2C)c1O ZINC000862436019 1329486644 /nfs/dbraw/zinc/48/66/44/1329486644.db2.gz UDNVMSJQAVOWQL-UHFFFAOYSA-N 1 0 349.740 3.096 10 10 EGCERO COc1ccc([C@@H]2CC[N@H+](Cc3cc4c(cc3O)OCO4)C2)cc1F ZINC000862541051 1329494356 /nfs/dbraw/zinc/49/43/56/1329494356.db2.gz MBGWEIAWZIDPFM-CYBMUJFWSA-N 1 0 345.370 3.258 10 10 EGCERO C[C@H]1CC[C@@H](NCc2ccc(OCc3ccccc3)cc2O)C[NH2+]1 ZINC000863485128 1329557613 /nfs/dbraw/zinc/55/76/13/1329557613.db2.gz VBOFKIMIRZTNHW-MAUKXSAKSA-N 1 0 326.440 3.201 10 10 EGCERO CC(=O)c1cc(F)cc(C[N@@H+]2CCCC[C@@H]([C@@H]3CCOC3)C2)c1O ZINC000934836179 1330010956 /nfs/dbraw/zinc/01/09/56/1330010956.db2.gz NBAREISTUHGKKN-HUUCEWRRSA-N 1 0 335.419 3.373 10 10 EGCERO CC(=O)c1cc(F)cc(C[N@@H+]2CCCC[C@H]([C@H]3CCOC3)C2)c1O ZINC000934836178 1330010966 /nfs/dbraw/zinc/01/09/66/1330010966.db2.gz NBAREISTUHGKKN-GJZGRUSLSA-N 1 0 335.419 3.373 10 10 EGCERO C[C@@H]([NH2+][C@H]1C[C@@H](C)O[C@H]1C)c1ccc(N2CCOCC2)cc1Cl ZINC000866443402 1330113239 /nfs/dbraw/zinc/11/32/39/1330113239.db2.gz LTTDEGOVKBLOMB-ZXTQRBJTSA-N 1 0 338.879 3.393 10 10 EGCERO C[C@@H](NC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1)c1ccccc1O ZINC000868449148 1330281798 /nfs/dbraw/zinc/28/17/98/1330281798.db2.gz UGGLLCPNMPFACG-LJHODMEESA-N 1 0 339.439 3.198 10 10 EGCERO COc1ccc(C[NH2+]C2(CNC(=O)c3cccc(F)c3)CC2)cc1C ZINC001323383573 1387358695 /nfs/dbraw/zinc/35/86/95/1387358695.db2.gz QZKINGQMCHFBBZ-UHFFFAOYSA-N 1 0 342.414 3.195 10 10 EGCERO CCC[C@H](C)[C@H]1CCC[N@@H+]1CC(=O)NCc1ccc(N(C)C)cc1 ZINC001192172824 1367707495 /nfs/dbraw/zinc/70/74/95/1367707495.db2.gz DVOZIMOTBMUSLM-QFBILLFUSA-N 1 0 331.504 3.269 10 10 EGCERO CC[C@H]([NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1)[C@@H]1CCCCO1 ZINC001118390573 1371171862 /nfs/dbraw/zinc/17/18/62/1371171862.db2.gz VWQLPNDZUOQGKW-ICSRJNTNSA-N 1 0 349.494 3.015 10 10 EGCERO CC(C)[C@]1(C)C[C@H]1NC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001229750016 1375884531 /nfs/dbraw/zinc/88/45/31/1375884531.db2.gz BVRGBAXCJNBWGE-GGPKGHCWSA-N 1 0 346.519 3.089 10 10 EGCERO CCN(CC)c1ccc(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)cc1F ZINC001136730156 1377418170 /nfs/dbraw/zinc/41/81/70/1377418170.db2.gz FEBAVLNMVHAUDC-LPHOPBHVSA-N 1 0 347.478 3.305 10 10 EGCERO CCCCN(Cc1ccccc1O)C(=O)c1ccc(C[NH+](C)C)nc1 ZINC001139124684 1377834013 /nfs/dbraw/zinc/83/40/13/1377834013.db2.gz ZMLQLHIVPFIGRJ-UHFFFAOYSA-N 1 0 341.455 3.291 10 10 EGCERO COc1ccc(C[NH2+][C@@H](C)CCNC(=O)Cc2cccs2)cc1C ZINC001274670259 1378132117 /nfs/dbraw/zinc/13/21/17/1378132117.db2.gz OIAWJEKKSWYALW-HNNXBMFYSA-N 1 0 346.496 3.292 10 10 EGCERO CC(C)CCCCC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001288334396 1381782395 /nfs/dbraw/zinc/78/23/95/1381782395.db2.gz GDGGEOOFAAGGRC-UHFFFAOYSA-N 1 0 331.504 3.271 10 10 EGCERO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)CC[N@@H+]1CC[C@@H](F)C1 ZINC001290334833 1382083249 /nfs/dbraw/zinc/08/32/49/1382083249.db2.gz QHBFUJXYIPSSOL-GOSISDBHSA-N 1 0 347.478 3.069 10 10 EGCERO C[C@@H](C1CCCCC1)[N@H+](C)CC(=O)NCc1ccc(N(C)C)cc1 ZINC001169942329 1384201849 /nfs/dbraw/zinc/20/18/49/1384201849.db2.gz MMPJXDRSBKZAQK-INIZCTEOSA-N 1 0 331.504 3.269 10 10 EGCERO COc1ccc(C[NH2+][C@@H](C)CNC(=O)c2cc(C)ccc2F)cc1C ZINC001317268490 1385038550 /nfs/dbraw/zinc/03/85/50/1385038550.db2.gz BQDWNZTVZQBJHR-HNNXBMFYSA-N 1 0 344.430 3.359 10 10 EGCERO COc1ccc(C[NH2+][C@@H](C)[C@H](C)NC(=O)[C@H]2C[C@H]3C[C@H]3C2)cc1C ZINC001329104565 1388970813 /nfs/dbraw/zinc/97/08/13/1388970813.db2.gz RAEGDIIEYUQKTA-GCDKYVQMSA-N 1 0 330.472 3.033 10 10 EGCERO COc1ccc(C[NH2+]C[C@H](C)NC(=O)c2cc(C)oc2C)cc1C ZINC001321789023 1386984540 /nfs/dbraw/zinc/98/45/40/1386984540.db2.gz HNUBNGBBTLHVLT-ZDUSSCGKSA-N 1 0 330.428 3.122 10 10 EGCERO CN1CCN(c2ccc(C[NH2+][C@H]3C[C@@H](OC(C)(C)C)C3)cc2F)CC1 ZINC001329415135 1389103024 /nfs/dbraw/zinc/10/30/24/1389103024.db2.gz SYRGTPSIJUQFTQ-CALCHBBNSA-N 1 0 349.494 3.013 10 10 EGCERO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]C[C@@H]1CC2(CO1)CCOCC2 ZINC001331918036 1389910119 /nfs/dbraw/zinc/91/01/19/1389910119.db2.gz YCUCRIDAJUKYOQ-PMPSAXMXSA-N 1 0 331.456 3.424 10 10 EGCERO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)CC2=CCCCC2)cc1C ZINC001497797405 1396853768 /nfs/dbraw/zinc/85/37/68/1396853768.db2.gz CVGOBASLXPXHKM-MRXNPFEDSA-N 1 0 330.472 3.488 10 10 EGCERO COc1ccc(C[NH2+][C@@H](CNC(=O)C2(C)CC=CC2)C2CC2)cc1C ZINC001731407570 1427370972 /nfs/dbraw/zinc/37/09/72/1427370972.db2.gz XJRQILRLBYWORQ-SFHVURJKSA-N 1 0 342.483 3.344 10 10 EGCERO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)[C@@H]2CCCC23CC3)cc1C ZINC001732960192 1429083380 /nfs/dbraw/zinc/08/33/80/1429083380.db2.gz NIFZIYPQMLSWOL-WBVHZDCISA-N 1 0 330.472 3.178 10 10 EGCERO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)cc1C ZINC001732965685 1429090456 /nfs/dbraw/zinc/09/04/56/1429090456.db2.gz OKALXXWRIVIJKJ-XGXHKWSGSA-N 1 0 344.499 3.424 10 10 EGCERO CC[C@@H]1C[C@H]1C(=O)NC[C@@H]([NH2+]Cc1ccc(OC)c(C)c1)C1CC1 ZINC001713118883 1417684262 /nfs/dbraw/zinc/68/42/62/1417684262.db2.gz ABZCCCNJMANODA-KBAYOESNSA-N 1 0 330.472 3.034 10 10 EGCERO COc1ccc(C[NH2+][C@H](CNC(=O)[C@]23C[C@H]2CCC3)C2CC2)cc1C ZINC001713871003 1418667474 /nfs/dbraw/zinc/66/74/74/1418667474.db2.gz DARWHHKDECYRSS-DBXWQHBBSA-N 1 0 342.483 3.178 10 10 EGCERO C/C=C(\C)C(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC001714297253 1419076045 /nfs/dbraw/zinc/07/60/45/1419076045.db2.gz OAMRKZFSXVZBDU-OPNOCWDJSA-N 1 0 330.472 3.487 10 10 EGCERO COc1ccc(C[NH2+]CCN(C)C(=O)C[C@H]2CC[C@@H](C)C2)cc1C ZINC001714747261 1419492405 /nfs/dbraw/zinc/49/24/05/1419492405.db2.gz QYNFJMPOGDIJEH-WBVHZDCISA-N 1 0 332.488 3.378 10 10 EGCERO COc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)[C@]2(C)C=CCC2)cc1C ZINC001715350445 1420051246 /nfs/dbraw/zinc/05/12/46/1420051246.db2.gz CATNUIWFOYNZSU-OXJNMPFZSA-N 1 0 330.472 3.296 10 10 EGCERO COc1ccc(C[NH2+]C2(CNC(=O)C3C=CC=CC=C3)CC2)cc1C ZINC001733245400 1429390725 /nfs/dbraw/zinc/39/07/25/1429390725.db2.gz DSRLJBWYPLJOKW-UHFFFAOYSA-N 1 0 338.451 3.040 10 10 EGCERO COc1ccc(C[NH2+]C[C@H](C)NC(=O)CC2CC(C)(C)C2)cc1C ZINC001715991493 1420446420 /nfs/dbraw/zinc/44/64/20/1420446420.db2.gz MXNOHQHWPGERJD-HNNXBMFYSA-N 1 0 332.488 3.424 10 10 EGCERO COc1ccc(C[NH2+]C/C=C\CNC(=O)/C=C\c2ccco2)cc1C ZINC001716262369 1420587244 /nfs/dbraw/zinc/58/72/44/1420587244.db2.gz GNVDEUUIPSUFTN-YHOGECKDSA-N 1 0 340.423 3.072 10 10 EGCERO COc1ccc(C[NH2+]C2(CNC(=O)[C@H](C)C(C)(C)C)CC2)cc1C ZINC001716685791 1420838830 /nfs/dbraw/zinc/83/88/30/1420838830.db2.gz NAODUZLUNIMZEY-HNNXBMFYSA-N 1 0 332.488 3.424 10 10 EGCERO COc1ccc(C[NH2+]CC[C@@H]2CCN(C(=O)C(C)(C)F)C2)cc1C ZINC001717069649 1421098701 /nfs/dbraw/zinc/09/87/01/1421098701.db2.gz ZLCXUKMGIRGQPH-OAHLLOKOSA-N 1 0 336.451 3.080 10 10 EGCERO CCCC[NH2+]C[C@@H]1CC[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001725668084 1426352122 /nfs/dbraw/zinc/35/21/22/1426352122.db2.gz ZWCKHIJITFPJLV-CZUORRHYSA-N 1 0 345.447 3.137 10 10 EGCERO COc1ccc(C[NH2+][C@H](C)CNC(=O)Cc2ccccc2C)cc1C ZINC001731633958 1427687922 /nfs/dbraw/zinc/68/79/22/1427687922.db2.gz LZTBJSYZLRAAGG-QGZVFWFLSA-N 1 0 340.467 3.149 10 10 EGCERO C=C/C(C)=C\CC(=O)N(C)C[C@@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001734338129 1438059587 /nfs/dbraw/zinc/05/95/87/1438059587.db2.gz GQNNJKXJXGORDS-XYMPBJBSSA-N 1 0 330.472 3.463 10 10 EGCERO COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)[C@@H]2CCC2(C)C)cc1C ZINC001734339046 1438060362 /nfs/dbraw/zinc/06/03/62/1438060362.db2.gz JTDIZHRWJSMVQU-WBVHZDCISA-N 1 0 332.488 3.376 10 10 EGCERO CC(C)N(CC[N@H+](C)CC1CC1)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001734553507 1438151981 /nfs/dbraw/zinc/15/19/81/1438151981.db2.gz UMRDPFBYGMANFF-UHFFFAOYSA-N 1 0 345.447 3.041 10 10 EGCERO FC(F)Oc1ccc(N2CCC([NH2+][C@H]3CCCOC3)CC2)cc1 ZINC000157742459 455227036 /nfs/dbraw/zinc/22/70/36/455227036.db2.gz UVSUDYDWMLHOHG-AWEZNQCLSA-N 1 0 326.387 3.025 10 10 EGCERO CCOc1cccc(C[NH+]2CCC(Nc3nccs3)CC2)c1O ZINC000189954164 455260646 /nfs/dbraw/zinc/26/06/46/455260646.db2.gz WJUBYXHHWBUXEE-UHFFFAOYSA-N 1 0 333.457 3.324 10 10 EGCERO CN(CCO)c1ccc(C[NH2+][C@@H]2CCSc3ccccc32)cc1 ZINC000012542031 453368954 /nfs/dbraw/zinc/36/89/54/453368954.db2.gz KHXQPHFVQACZNX-GOSISDBHSA-N 1 0 328.481 3.442 10 10 EGCERO Cc1cc(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)cc(C)c1O ZINC000016878591 453623108 /nfs/dbraw/zinc/62/31/08/453623108.db2.gz WGAWIOTYBWKDIB-UHFFFAOYSA-N 1 0 340.467 3.478 10 10 EGCERO C[C@H]([NH2+]CCCNC(=O)c1cccs1)c1ccc(N(C)C)cc1 ZINC000089641150 454172659 /nfs/dbraw/zinc/17/26/59/454172659.db2.gz DIAXNCUSQCSZIH-AWEZNQCLSA-N 1 0 331.485 3.285 10 10 EGCERO CCN(C)c1ccc([C@@H](C)[NH2+][C@@H]2CCCN(c3cccnn3)C2)cc1 ZINC000089733279 454185822 /nfs/dbraw/zinc/18/58/22/454185822.db2.gz SFVFMEXBOHQMDY-SJLPKXTDSA-N 1 0 339.487 3.252 10 10 EGCERO CCNC(=O)N1CC[C@H]([NH2+][C@H](C)c2ccc(N3CCCCC3)cc2)C1 ZINC000090410592 454302034 /nfs/dbraw/zinc/30/20/34/454302034.db2.gz DFSJFHHZRGFNKI-AEFFLSMTSA-N 1 0 344.503 3.131 10 10 EGCERO Cc1ccc(O)c(C[NH+]2CCC(n3c4ccccc4[nH]c3=O)CC2)c1 ZINC000121807834 454480164 /nfs/dbraw/zinc/48/01/64/454480164.db2.gz QVINUPXYAVSHBE-UHFFFAOYSA-N 1 0 337.423 3.181 10 10 EGCERO Oc1cc2c(cc1C[N@H+]1CCC[C@H]1C[C@@H](O)c1ccccc1)OCO2 ZINC000093868383 454742975 /nfs/dbraw/zinc/74/29/75/454742975.db2.gz XZQAUMQJXCVJLT-DLBZAZTESA-N 1 0 341.407 3.209 10 10 EGCERO CC(=O)c1cc(Cl)cc(CN2CCC([NH+]3CCCC3)CC2)c1O ZINC000177121397 454824939 /nfs/dbraw/zinc/82/49/39/454824939.db2.gz MMOMQCQCMKFYIN-UHFFFAOYSA-N 1 0 336.863 3.308 10 10 EGCERO CC(=O)c1cc(F)cc(C[NH2+][C@H]2CCCC[C@H]2n2cccn2)c1O ZINC000127851714 455004359 /nfs/dbraw/zinc/00/43/59/455004359.db2.gz JXPMCTWFSJTXGS-DLBZAZTESA-N 1 0 331.391 3.204 10 10 EGCERO COc1ccc(O)c([C@H](C)[NH2+][C@H]2CCN(C)[C@@H]2c2ccccc2)c1 ZINC000186189008 455712448 /nfs/dbraw/zinc/71/24/48/455712448.db2.gz XLQXMUSSKWUIDE-ADLFWFRXSA-N 1 0 326.440 3.497 10 10 EGCERO CCc1cc(N2CCC[C@H]([NH2+][C@H](CC)c3ccccc3O)C2)ncn1 ZINC000248552287 455720107 /nfs/dbraw/zinc/72/01/07/455720107.db2.gz JBOWGAJYUAYZDR-FUHWJXTLSA-N 1 0 340.471 3.454 10 10 EGCERO CCOc1cccc(C[NH2+][C@H]2CCOC3(CCSCC3)C2)c1O ZINC000269306380 455832396 /nfs/dbraw/zinc/83/23/96/455832396.db2.gz DUGOTOOFVCDEBK-HNNXBMFYSA-N 1 0 337.485 3.325 10 10 EGCERO CN(C)c1ccc(C[NH2+][C@@H]2CCO[C@@H](c3cccnc3)C2)cc1F ZINC000295034476 455836935 /nfs/dbraw/zinc/83/69/35/455836935.db2.gz OEZURXPAOPVEOM-VQIMIIECSA-N 1 0 329.419 3.297 10 10 EGCERO COC1CCN(c2ccc(C[NH+]3[C@H](C)CC(O)C[C@H]3C)cc2)CC1 ZINC000295763012 455858379 /nfs/dbraw/zinc/85/83/79/455858379.db2.gz PCNLZYRWFMXDOM-HZPDHXFCSA-N 1 0 332.488 3.036 10 10 EGCERO CC[C@H]([NH2+][C@@H]1CCCN(c2cc(C)nn2C)C1)c1ccc(C)cc1O ZINC000280058368 455882465 /nfs/dbraw/zinc/88/24/65/455882465.db2.gz KDWAJIAWLPPOED-AEFFLSMTSA-N 1 0 342.487 3.452 10 10 EGCERO CCOCc1nc([C@H](C)N[C@H](CC)c2ccc(N(C)C)cc2)no1 ZINC000290131362 456248002 /nfs/dbraw/zinc/24/80/02/456248002.db2.gz JZGPWPOMTKSSOR-XJKSGUPXSA-N 1 0 332.448 3.474 10 10 EGCERO Cn1cc2c(n1)CCC[C@@H]2[NH2+]Cc1cc(Br)ccc1O ZINC000283012145 456689900 /nfs/dbraw/zinc/68/99/00/456689900.db2.gz OUVMMLXGVPBEPT-ZDUSSCGKSA-N 1 0 336.233 3.055 10 10 EGCERO Cc1noc(C)c1CO[C@@H]1CC[N@@H+](Cc2ccc(N(C)C)c(F)c2)C1 ZINC000370730730 457708294 /nfs/dbraw/zinc/70/82/94/457708294.db2.gz QCAPCQGXLBTERE-MRXNPFEDSA-N 1 0 347.434 3.288 10 10 EGCERO CCOc1cccc(C[NH2+][C@H]2CCc3cnn(C(C)C)c3C2)c1O ZINC000365143060 457728785 /nfs/dbraw/zinc/72/87/85/457728785.db2.gz UUMNFXLKDGPDFG-INIZCTEOSA-N 1 0 329.444 3.215 10 10 EGCERO COc1cc(O)c(C[N@H+](C)[C@H](C)[C@H]2Cc3ccccc3O2)cc1OC ZINC000371469762 457947865 /nfs/dbraw/zinc/94/78/65/457947865.db2.gz GNWCYUUZTPOQBL-FZKQIMNGSA-N 1 0 343.423 3.233 10 10 EGCERO Oc1cc(OCc2ccccc2)ccc1C[NH+]1CC([C@@H]2CCOC2)C1 ZINC000373464759 458500130 /nfs/dbraw/zinc/50/01/30/458500130.db2.gz HMBBZDBJIMCFHW-GOSISDBHSA-N 1 0 339.435 3.440 10 10 EGCERO CCOCc1cc(C[NH2+]C[C@H]2CCN2C2CCCC2)ccc1OC ZINC000527804731 459741455 /nfs/dbraw/zinc/74/14/55/459741455.db2.gz AKRRLMKGQSIBJG-LJQANCHMSA-N 1 0 332.488 3.338 10 10 EGCERO CC(C)(C)[C@@H]1CN(C(=O)c2cn[nH]c2[C@H]2CC[NH2+]C2)c2ccccc21 ZINC000662545341 461290527 /nfs/dbraw/zinc/29/05/27/461290527.db2.gz OVTSATHNPCJGLE-XJKSGUPXSA-N 1 0 338.455 3.277 10 10 EGCERO Cc1ccc(C)n1-c1ccsc1C(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000732165055 575241427 /nfs/dbraw/zinc/24/14/27/575241427.db2.gz CGYVVPPGUVVPIO-INIZCTEOSA-N 1 0 343.496 3.464 10 10 EGCERO CCOc1ccc(O)c(C[NH2+]CC(=O)Nc2cccc(CC)c2)c1 ZINC000732230373 575247057 /nfs/dbraw/zinc/24/70/57/575247057.db2.gz GTOHQVARGNNIIX-UHFFFAOYSA-N 1 0 328.412 3.082 10 10 EGCERO COc1ccc(O)c([C@@H](C)[NH2+]Cc2nccn2Cc2ccccc2)c1 ZINC000182464374 1295050727 /nfs/dbraw/zinc/05/07/27/1295050727.db2.gz WZTNULAKSJEFJK-OAHLLOKOSA-N 1 0 337.423 3.496 10 10 EGCERO COCC(C)(C)CC[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000872105923 1296733280 /nfs/dbraw/zinc/73/32/80/1296733280.db2.gz MXKLOOJNLJEPOZ-HNNXBMFYSA-N 1 0 338.467 3.376 10 10 EGCERO CCOc1ccccc1OCCN1CCCc2cc(C[NH3+])ccc21 ZINC000325161640 1297221568 /nfs/dbraw/zinc/22/15/68/1297221568.db2.gz FWXZGYSIZAECTJ-UHFFFAOYSA-N 1 0 326.440 3.376 10 10 EGCERO COC(=O)c1c(C[NH2+][C@H]2CCCSC2)c2cc(F)ccc2n1C ZINC000894325125 1306342882 /nfs/dbraw/zinc/34/28/82/1306342882.db2.gz DSMDSYXQFZVRLX-LBPRGKRZSA-N 1 0 336.432 3.089 10 10 EGCERO COC(=O)c1c(C[N@@H+]2CC[C@@H](SC)C2)c2cc(F)ccc2n1C ZINC000894880171 1309113300 /nfs/dbraw/zinc/11/33/00/1309113300.db2.gz JHYTVXVLWBOPKV-GFCCVEGCSA-N 1 0 336.432 3.041 10 10 EGCERO COC(=O)c1c(C[NH2+]C[C@H]2CCOC2(C)C)c2cc(F)ccc2n1C ZINC000895342484 1309289932 /nfs/dbraw/zinc/28/99/32/1309289932.db2.gz INZJGHGRIJGHDE-GFCCVEGCSA-N 1 0 348.418 3.009 10 10 EGCERO c1cc(N2CCOCC2)ccc1C[NH+]1CCC2(CCCCO2)CC1 ZINC000895658765 1309452054 /nfs/dbraw/zinc/45/20/54/1309452054.db2.gz OFOBLQIKCXQDMA-UHFFFAOYSA-N 1 0 330.472 3.058 10 10 EGCERO CC(=O)c1cccc(NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)n1 ZINC000897523294 1310361658 /nfs/dbraw/zinc/36/16/58/1310361658.db2.gz SYXIPPMHPMTWSI-SFHVURJKSA-N 1 0 326.444 3.065 10 10 EGCERO CN(Cc1cccs1)c1ccc(C[NH2+]C[C@@H](O)[C@@H]2CCCO2)cc1 ZINC000858226692 1328715873 /nfs/dbraw/zinc/71/58/73/1328715873.db2.gz QECMJRLSUOXJLF-MOPGFXCFSA-N 1 0 346.496 3.014 10 10 EGCERO C[C@H]([NH2+]C[C@H](O)[C@@H]1CCCO1)c1ccc(N2CCCCC2)c(F)c1 ZINC000858468624 1328770150 /nfs/dbraw/zinc/77/01/50/1328770150.db2.gz KFOARMRWJGNXDA-JVPBZIDWSA-N 1 0 336.451 3.007 10 10 EGCERO Oc1cc2c(cc1C[N@@H+]1CCC[C@@H]1Cc1cccc(F)c1)OCO2 ZINC000917473886 1319816346 /nfs/dbraw/zinc/81/63/46/1319816346.db2.gz DSTAFEMQBYEZAQ-MRXNPFEDSA-N 1 0 329.371 3.467 10 10 EGCERO O=C(NCc1c(O)cccc1F)NC1CC[NH+](C2CCCCC2)CC1 ZINC000921222517 1322276494 /nfs/dbraw/zinc/27/64/94/1322276494.db2.gz VDGHRTIKXRUOEK-UHFFFAOYSA-N 1 0 349.450 3.128 10 10 EGCERO Cc1cc(O)c(C[NH2+]CC2CCC(S(C)(=O)=O)CC2)c(Cl)c1 ZINC000922416973 1322524971 /nfs/dbraw/zinc/52/49/71/1322524971.db2.gz FFFCUSWXBQNKID-UHFFFAOYSA-N 1 0 345.892 3.047 10 10 EGCERO CN(C)c1ccc(/C=C/C[NH2+]C[C@H]2CCC3(CCOCC3)O2)cc1 ZINC000922807501 1322623363 /nfs/dbraw/zinc/62/33/63/1322623363.db2.gz BUIFDEUZHLVNMH-GNAXCBTBSA-N 1 0 330.472 3.084 10 10 EGCERO CC1(C)C[C@@H](C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C(C)(C)O1 ZINC000922948297 1322656523 /nfs/dbraw/zinc/65/65/23/1322656523.db2.gz GTVCHVQVNDTKLX-KRWDZBQOSA-N 1 0 346.515 3.331 10 10 EGCERO CCN(CC)c1ccc(CNCc2nc3c(s2)COCC3)cc1 ZINC000922961480 1322662670 /nfs/dbraw/zinc/66/26/70/1322662670.db2.gz GYCVMQZFPCMXHO-UHFFFAOYSA-N 1 0 331.485 3.352 10 10 EGCERO Oc1ccccc1C[N@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)C[C@H]1CCCO1 ZINC000923299202 1322728223 /nfs/dbraw/zinc/72/82/23/1322728223.db2.gz ONYCYELQTFJWPS-ZNBHLAFESA-N 1 0 344.499 3.294 10 10 EGCERO CC[C@@H](C[C@](C)(O)CC)[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000924760656 1323147815 /nfs/dbraw/zinc/14/78/15/1323147815.db2.gz REHNTQIAMZSBFV-PZJWPPBQSA-N 1 0 348.531 3.315 10 10 EGCERO C[C@@H]([NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1)C(C)(C)CO ZINC000924908345 1323209094 /nfs/dbraw/zinc/20/90/94/1323209094.db2.gz VDKGTWXEACHWGZ-CYBMUJFWSA-N 1 0 342.430 3.253 10 10 EGCERO C[C@@H]([NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccnnc1 ZINC000925158654 1325068758 /nfs/dbraw/zinc/06/87/58/1325068758.db2.gz DCKIYGHKYCKTOF-UKRRQHHQSA-N 1 0 348.397 3.398 10 10 EGCERO C[C@H](NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)c1ncco1 ZINC000925677938 1325259609 /nfs/dbraw/zinc/25/96/09/1325259609.db2.gz RJJMCJYVVJNJIV-INIZCTEOSA-N 1 0 340.471 3.057 10 10 EGCERO CC[C@H]([NH2+]C[C@H]1C[C@@H]2COC[C@@H]2O1)c1ccc(C(F)(F)F)cc1O ZINC000926944521 1327787963 /nfs/dbraw/zinc/78/79/63/1327787963.db2.gz PZQXBTAOBMHHNK-ILHHOCCXSA-N 1 0 345.361 3.256 10 10 EGCERO COC(=O)C1=CC[C@H]([NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000862467994 1329488893 /nfs/dbraw/zinc/48/88/93/1329488893.db2.gz RFUFPPBKWBTBAD-ZDUSSCGKSA-N 1 0 342.361 3.123 10 10 EGCERO Cc1cc(C2([NH2+]Cc3ccc(N(C)C)cc3C)CCOCC2)on1 ZINC000862542569 1329495007 /nfs/dbraw/zinc/49/50/07/1329495007.db2.gz TWJPSSIWQILZSV-UHFFFAOYSA-N 1 0 329.444 3.153 10 10 EGCERO COc1ccc(N2CCC([NH2+]C[C@@H]3CCC34CCOCC4)CC2)cc1 ZINC000865776969 1329737125 /nfs/dbraw/zinc/73/71/25/1329737125.db2.gz AKSBATSINIYUCL-KRWDZBQOSA-N 1 0 344.499 3.460 10 10 EGCERO c1cc(N2CCOCC2)ccc1C[N@@H+]1CCCC[C@@H]([C@@H]2CCOC2)C1 ZINC000934830941 1330010024 /nfs/dbraw/zinc/01/00/24/1330010024.db2.gz HJVYJMCMUNYSBJ-WOJBJXKFSA-N 1 0 344.499 3.162 10 10 EGCERO C[C@H](CCc1cccnc1)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000866391024 1330105700 /nfs/dbraw/zinc/10/57/00/1330105700.db2.gz ADNONLAOUWUPMV-QGZVFWFLSA-N 1 0 339.483 3.154 10 10 EGCERO COc1cc(Br)cc([C@H](C)[NH2+][C@@H]2C[C@H](C)O[C@@H]2C)c1O ZINC000866447090 1330113583 /nfs/dbraw/zinc/11/35/83/1330113583.db2.gz HMLFPJJDVFKJAM-QISWUMQESA-N 1 0 344.249 3.380 10 10 EGCERO CCOC(=O)c1cc(C[NH2+][C@H]2C[C@H](C)c3c2c(O)ccc3F)on1 ZINC000866515233 1330120695 /nfs/dbraw/zinc/12/06/95/1330120695.db2.gz DTABZOGOXAGCOZ-CABZTGNLSA-N 1 0 334.347 3.034 10 10 EGCERO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(CN3CCNC3=O)cc2)c(O)c1 ZINC000866576338 1330128978 /nfs/dbraw/zinc/12/89/78/1330128978.db2.gz GNNZXHVSYOJGSO-OAHLLOKOSA-N 1 0 339.439 3.077 10 10 EGCERO CC[C@H](C[C@H](C)O)[NH2+][C@H](C)c1cc(Br)cc(OC)c1O ZINC000866633230 1330136051 /nfs/dbraw/zinc/13/60/51/1330136051.db2.gz GVXBSXCPVBQTOS-HOSYDEDBSA-N 1 0 346.265 3.363 10 10 EGCERO CC[C@H](C[C@@H](C)O)[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000866635607 1330136321 /nfs/dbraw/zinc/13/63/21/1330136321.db2.gz RTCFCMFQKNOWLK-QLFBSQMISA-N 1 0 340.895 3.377 10 10 EGCERO O[C@H]1C[N@H+](Cc2ccc3c(c2)CCN3Cc2ccccc2)CC12CC2 ZINC001323732439 1387434621 /nfs/dbraw/zinc/43/46/21/1387434621.db2.gz VYRMNRWRRVNXOD-NRFANRHFSA-N 1 0 334.463 3.206 10 10 EGCERO Cc1ccc(O)c2c1[C@@H](C)C[C@H]2[NH2+]Cc1ccnc(-n2cncn2)c1 ZINC001118933858 1371252911 /nfs/dbraw/zinc/25/29/11/1371252911.db2.gz UZNJFLLPNIYDGO-DZGCQCFKSA-N 1 0 335.411 3.014 10 10 EGCERO C[C@@H]1CCC[C@@]1(C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001134881803 1376765427 /nfs/dbraw/zinc/76/54/27/1376765427.db2.gz HUYFBLQIYAHXGX-MOXGXCLJSA-N 1 0 331.504 3.298 10 10 EGCERO CC1CCN(c2ccc(CNC(=O)[C@@H]3CC[N@@H+]3C(C)(C)C)cc2)CC1 ZINC001136705239 1377416349 /nfs/dbraw/zinc/41/63/49/1377416349.db2.gz GHMSOMUICDPWPW-IBGZPJMESA-N 1 0 343.515 3.412 10 10 EGCERO COc1ccc(C[NH2+][C@H](CNC(=O)c2ccoc2)C(C)C)cc1C ZINC001268204101 1377494626 /nfs/dbraw/zinc/49/46/26/1377494626.db2.gz TZDLZOLZDRBOTP-QGZVFWFLSA-N 1 0 330.428 3.141 10 10 EGCERO CC(C)=CC[NH2+][C@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)[C@@H]1C ZINC001283937395 1379287254 /nfs/dbraw/zinc/28/72/54/1379287254.db2.gz CEPFTIUBRZTNCM-CJNGLKHVSA-N 1 0 343.431 3.008 10 10 EGCERO COc1ccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)/C=C/c2ccc[nH]2)cc1C ZINC001329029092 1388937372 /nfs/dbraw/zinc/93/73/72/1388937372.db2.gz YZUNXQUEXCDELP-ZGWZEZEDSA-N 1 0 341.455 3.028 10 10 EGCERO COc1ccc(C[NH2+]CCN(C)C(=O)c2ccccc2C)cc1C ZINC001317563894 1385342519 /nfs/dbraw/zinc/34/25/19/1385342519.db2.gz KHJXCAFKSDBARN-UHFFFAOYSA-N 1 0 326.440 3.174 10 10 EGCERO COc1ccc(C[NH2+]CC2(NC(=O)[C@@H]3CC34CC4)CCCC2)cc1C ZINC001318656352 1385820731 /nfs/dbraw/zinc/82/07/31/1385820731.db2.gz RBTUVBJQEYNJEN-KRWDZBQOSA-N 1 0 342.483 3.322 10 10 EGCERO CC/C=C/CC[NH2+][C@H](C)[C@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001329201434 1389018733 /nfs/dbraw/zinc/01/87/33/1389018733.db2.gz BSJAWUKRFHMQAV-PXVJFHKPSA-N 1 0 345.447 3.302 10 10 EGCERO CO[C@@H]1CC[C@@H]([NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2Cl)C1 ZINC001338829834 1389782336 /nfs/dbraw/zinc/78/23/36/1389782336.db2.gz SMQUFDZJPHAVLP-SQWLQELKSA-N 1 0 338.879 3.395 10 10 EGCERO C=C/C(C)=C/CC(=O)N1CC[C@H](C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001480662622 1392841175 /nfs/dbraw/zinc/84/11/75/1392841175.db2.gz UUIKSBOXPVGMJK-ZHPQLQEBSA-N 1 0 342.483 3.464 10 10 EGCERO COc1ccc(C[NH2+]C[C@](C)(NC(=O)C=C2CCC2)C2CC2)cc1C ZINC001481925112 1394598184 /nfs/dbraw/zinc/59/81/84/1394598184.db2.gz NQMPBLJYROIIRF-NRFANRHFSA-N 1 0 342.483 3.488 10 10 EGCERO COc1ccc(C[NH2+][C@H]2CCN(C(=O)CCCF)C[C@H]2C)cc1C ZINC001496358910 1396665807 /nfs/dbraw/zinc/66/58/07/1396665807.db2.gz DEPYNVQAZRNQND-WBVHZDCISA-N 1 0 336.451 3.080 10 10 EGCERO COc1ccc(C[NH2+]CC[C@H](C)NC(=O)[C@H]2C[C@H]3C[C@H]3C2)cc1C ZINC001497255025 1396739536 /nfs/dbraw/zinc/73/95/36/1396739536.db2.gz XGEPUBMCPRGTCI-DZJNRPSUSA-N 1 0 330.472 3.034 10 10 EGCERO CC[N@@H+](CC=C(C)C)CCCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001689970509 1404234637 /nfs/dbraw/zinc/23/46/37/1404234637.db2.gz RJUQJGBOZWELQC-UHFFFAOYSA-N 1 0 345.447 3.257 10 10 EGCERO COc1ccc(C[NH2+][C@H](C)CNC(=O)C2CCC(F)CC2)cc1C ZINC001690618509 1404656350 /nfs/dbraw/zinc/65/63/50/1404656350.db2.gz BABGGBMMBTYWJD-ODIFPOPNSA-N 1 0 336.451 3.126 10 10 EGCERO COc1ccc(C[NH2+]C[C@H](C)CNC(=O)[C@]23C[C@H]2CCCC3)cc1C ZINC001732360068 1428547773 /nfs/dbraw/zinc/54/77/73/1428547773.db2.gz HWMOJWKYFIDZFP-RRMPHLOHSA-N 1 0 344.499 3.426 10 10 EGCERO COc1ccc(C[NH2+]CC[C@@H](C)NC(=O)C2(C(F)F)CC2)cc1C ZINC001699101178 1412509988 /nfs/dbraw/zinc/50/99/88/1412509988.db2.gz VDBHFKPQBBLVMI-CYBMUJFWSA-N 1 0 340.414 3.033 10 10 EGCERO COc1ccc(C[NH2+]C/C=C/CNC(=O)C2C(C)(C)C2(C)C)cc1C ZINC001699242945 1412594456 /nfs/dbraw/zinc/59/44/56/1412594456.db2.gz MWNGUQVPYFAROY-BQYQJAHWSA-N 1 0 344.499 3.448 10 10 EGCERO CC[C@@H]1C[C@H]1C(=O)N1CC[C@@](C)(C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001699849305 1413278536 /nfs/dbraw/zinc/27/85/36/1413278536.db2.gz UNUADYDVKGVJNK-OPYAIIAOSA-N 1 0 344.499 3.378 10 10 EGCERO COc1ccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)c2cccs2)cc1C ZINC001700384796 1413911944 /nfs/dbraw/zinc/91/19/44/1413911944.db2.gz KADZKCWTCCXLIX-UONOGXRCSA-N 1 0 332.469 3.362 10 10 EGCERO COc1ccc(C[NH2+]CC[C@H](C)NC(=O)/C=C/c2ccc[nH]2)cc1C ZINC001732689285 1428910664 /nfs/dbraw/zinc/91/06/64/1428910664.db2.gz PKHWOUURQAPOQL-DYLHUKMJSA-N 1 0 341.455 3.030 10 10 EGCERO COc1ccc(C[NH2+][C@H](C)CCNC(=O)c2cccc(F)c2)cc1C ZINC001713402631 1418026336 /nfs/dbraw/zinc/02/63/36/1418026336.db2.gz OPIYPNBZPPSSPP-OAHLLOKOSA-N 1 0 344.430 3.441 10 10 EGCERO COc1ccc(C[NH2+][C@@H](CNC(=O)C=C2CCC2)C2CC2)cc1C ZINC001713863222 1418660724 /nfs/dbraw/zinc/66/07/24/1418660724.db2.gz BBTCXOHWIGKZMM-SFHVURJKSA-N 1 0 328.456 3.098 10 10 EGCERO C/C=C(/C)C(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC001714297252 1419076035 /nfs/dbraw/zinc/07/60/35/1419076035.db2.gz OAMRKZFSXVZBDU-FWAHHTLNSA-N 1 0 330.472 3.487 10 10 EGCERO COc1ccc(C[NH2+][C@H](C)CNC(=O)[C@@H]2CC3CCC2CC3)cc1C ZINC001714309317 1419090057 /nfs/dbraw/zinc/09/00/57/1419090057.db2.gz OHCNFPMMKQBPHU-JVGQSUMCSA-N 1 0 344.499 3.424 10 10 EGCERO CC[C@H](C)CC(=O)N1CC[C@@H](C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001714344189 1419116374 /nfs/dbraw/zinc/11/63/74/1419116374.db2.gz CNAODQQISZSUDQ-YJBOKZPZSA-N 1 0 332.488 3.378 10 10 EGCERO COc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)C(C)=C2CCC2)cc1C ZINC001714612322 1419373188 /nfs/dbraw/zinc/37/31/88/1419373188.db2.gz YYFXEBZAEQTYDB-HNNXBMFYSA-N 1 0 330.472 3.441 10 10 EGCERO CCC(CC)C[N@H+](C)CCN(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001716026902 1420483582 /nfs/dbraw/zinc/48/35/82/1420483582.db2.gz ZQBDHZKBURPKBP-UHFFFAOYSA-N 1 0 347.463 3.289 10 10 EGCERO COc1ccc(C[NH2+]C[C@H](C)NC(=O)[C@H](C)c2ccsc2)cc1C ZINC001716453237 1420668207 /nfs/dbraw/zinc/66/82/07/1420668207.db2.gz YBHCMLMXRJIEBH-LSDHHAIUSA-N 1 0 346.496 3.463 10 10 EGCERO COc1ccc(C[NH2+]C[C@H](C)NC(=O)[C@H](C)C2CCCC2)cc1C ZINC001716459240 1420672825 /nfs/dbraw/zinc/67/28/25/1420672825.db2.gz AYPQUQRLAZMUID-JKSUJKDBSA-N 1 0 332.488 3.424 10 10 EGCERO COc1ccc(C[NH2+]CCCN(C)C(=O)[C@H](C)C(F)(F)F)cc1C ZINC001716560178 1420760793 /nfs/dbraw/zinc/76/07/93/1420760793.db2.gz JLRADHLBDBJBAQ-ZDUSSCGKSA-N 1 0 346.393 3.140 10 10 EGCERO CC(C)(C)CC[NH2+][C@H]1C[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001731460839 1427436739 /nfs/dbraw/zinc/43/67/39/1427436739.db2.gz JMFXTYJSNOIPOB-SHTZXODSSA-N 1 0 345.447 3.136 10 10 EGCERO COc1ccc(C[NH2+]CC[C@H]2CCN(C(=O)[C@@H]3CC34CC4)C2)cc1C ZINC001733665725 1429859232 /nfs/dbraw/zinc/85/92/32/1429859232.db2.gz GIFWRWFCMIHEEM-WMZOPIPTSA-N 1 0 342.483 3.132 10 10 EGCERO COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)[C@@H]2CC=CCC2)cc1C ZINC001734312677 1438042961 /nfs/dbraw/zinc/04/29/61/1438042961.db2.gz GCYLYSPMALQDKR-SJLPKXTDSA-N 1 0 330.472 3.296 10 10 EGCERO Cc1occc1C(=O)NC1CC[NH+](Cc2cc(C)c(C)cc2O)CC1 ZINC000066795762 453874196 /nfs/dbraw/zinc/87/41/96/453874196.db2.gz YNPQPGITNPZHMW-UHFFFAOYSA-N 1 0 342.439 3.305 10 10 EGCERO CCN(C)c1ccc([C@H](C)[NH2+]C2CCN(c3ncccn3)CC2)cc1 ZINC000155891216 455057756 /nfs/dbraw/zinc/05/77/56/455057756.db2.gz RITZYNPKBVEACX-INIZCTEOSA-N 1 0 339.487 3.252 10 10 EGCERO Cc1ncsc1CN(C)C[C@H]1CC[N@H+](Cc2cccc(C)c2O)C1 ZINC000190470538 455326231 /nfs/dbraw/zinc/32/62/31/455326231.db2.gz DFVPPQOEFHZMBL-MRXNPFEDSA-N 1 0 345.512 3.419 10 10 EGCERO C[C@H]([NH2+][C@@H]1CCCN(c2ncccn2)C1)c1cc(Cl)ccc1O ZINC000185060745 455494379 /nfs/dbraw/zinc/49/43/79/455494379.db2.gz NJNNJYDDPXLIMG-GXTWGEPZSA-N 1 0 332.835 3.155 10 10 EGCERO COc1ccc(O)c([C@H](C)[NH2+][C@H]2CCN(C(=O)C3CCCCC3)C2)c1 ZINC000185762966 455616534 /nfs/dbraw/zinc/61/65/34/455616534.db2.gz KRVDSNMIRINWDT-HOCLYGCPSA-N 1 0 346.471 3.233 10 10 EGCERO Cc1cc(C[C@H](C)[NH2+][C@@H](C)c2ccc(Br)cc2O)[nH]n1 ZINC000186131502 455699058 /nfs/dbraw/zinc/69/90/58/455699058.db2.gz UXDZAQXTJKFVTC-ONGXEEELSA-N 1 0 338.249 3.468 10 10 EGCERO Cc1ccc(C(=O)N2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)c(O)c1O ZINC000248407309 455713334 /nfs/dbraw/zinc/71/33/34/455713334.db2.gz CVAXFLNCPIHJFH-HZPDHXFCSA-N 1 0 346.471 3.133 10 10 EGCERO CC[C@H]([NH2+]C[C@@H]1C[C@@H](O)CN1Cc1ccccc1)c1ccccc1O ZINC000248544546 455719076 /nfs/dbraw/zinc/71/90/76/455719076.db2.gz DNXXRWPHJRBGTL-NSHGMRRFSA-N 1 0 340.467 3.068 10 10 EGCERO C[C@H]([NH2+][C@@H]1C[C@@H]2OCCC[C@@H]12)c1cc(Br)ccc1O ZINC000251521953 455792014 /nfs/dbraw/zinc/79/20/14/455792014.db2.gz CTLIXVNQHIQNRT-GVAXYQGFSA-N 1 0 326.234 3.373 10 10 EGCERO CCC[C@@]1([NH2+]Cc2ccc(N3CCC(OC)CC3)cc2)CCOC1 ZINC000294904654 455832350 /nfs/dbraw/zinc/83/23/50/455832350.db2.gz AWANWGHBSGGIPH-HXUWFJFHSA-N 1 0 332.488 3.351 10 10 EGCERO CCO[C@@H]1C[C@@H](O)C12CC[NH+](Cc1cc(Cl)cc(C)c1O)CC2 ZINC000305756586 456555568 /nfs/dbraw/zinc/55/55/68/456555568.db2.gz AKHWFYVEQHAQNA-HZPDHXFCSA-N 1 0 339.863 3.106 10 10 EGCERO COc1cccc(C[N@@H+]2CCC[C@@H](c3ncc4n3CCCC4)C2)c1O ZINC000282729260 456605263 /nfs/dbraw/zinc/60/52/63/456605263.db2.gz MDWUDDRDAIDIGS-MRXNPFEDSA-N 1 0 341.455 3.313 10 10 EGCERO COc1ccc(O)c([C@@H](C)[NH2+]C2CCC(c3nc(C)no3)CC2)c1 ZINC000363860974 457457229 /nfs/dbraw/zinc/45/72/29/457457229.db2.gz VXTLCGOHIQESNS-LMWSTFAQSA-N 1 0 331.416 3.469 10 10 EGCERO CCN(CC)c1ccc(C[NH2+][C@H]2CCO[C@@]3(CCOC3)C2)cc1F ZINC000374268389 457555546 /nfs/dbraw/zinc/55/55/46/457555546.db2.gz GBMZRKFCRIKEDP-LPHOPBHVSA-N 1 0 336.451 3.100 10 10 EGCERO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N(C)CC2CC2)C1 ZINC000435525303 458158745 /nfs/dbraw/zinc/15/87/45/458158745.db2.gz CZYOYHDGWQNHIF-UHFFFAOYSA-N 1 0 339.483 3.276 10 10 EGCERO CCCN(CCC)c1ccc(C[N@@H+]2CC[C@H](n3cncn3)C2)cc1 ZINC000372362832 458290230 /nfs/dbraw/zinc/29/02/30/458290230.db2.gz ABWVOAKKRDCNQR-IBGZPJMESA-N 1 0 327.476 3.352 10 10 EGCERO Oc1cc2c(cc1C[NH2+]C[C@H]1CC[C@H](c3ccccc3)O1)OCO2 ZINC000377405066 458499466 /nfs/dbraw/zinc/49/94/66/458499466.db2.gz SBMQBPPIBCEUHR-NVXWUHKLSA-N 1 0 327.380 3.131 10 10 EGCERO COc1ccc(CN2CC[C@@H]2C[NH2+][C@H](C)c2cc(F)ccc2O)cc1 ZINC000527963778 459783858 /nfs/dbraw/zinc/78/38/58/459783858.db2.gz BVPMAIFGLGSBHX-RHSMWYFYSA-N 1 0 344.430 3.465 10 10 EGCERO COc1ccc(CN2CC[C@@H]2C[NH2+][C@H]2CCc3cccc(O)c32)cc1 ZINC000527965487 459784430 /nfs/dbraw/zinc/78/44/30/459784430.db2.gz MOSPCYOEKLSLHL-MJGOQNOKSA-N 1 0 338.451 3.252 10 10 EGCERO Cc1ccc(C)n1-c1ccc(C(=O)N(C)[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000732034714 575232627 /nfs/dbraw/zinc/23/26/27/575232627.db2.gz GYJGDCLTXFHHPQ-FQEVSTJZSA-N 1 0 337.467 3.403 10 10 EGCERO CCOc1ccc(O)c(C[N@@H+]2CCC[C@@H](CNC(=O)C(C)(C)C)C2)c1 ZINC000093282048 1292914307 /nfs/dbraw/zinc/91/43/07/1292914307.db2.gz CWOLDKWMUKLWNW-HNNXBMFYSA-N 1 0 348.487 3.165 10 10 EGCERO CC[C@H]([NH2+]Cc1ccc(N2CCC(CO)CC2)cc1)[C@@H]1CCCOC1 ZINC000872028493 1296673497 /nfs/dbraw/zinc/67/34/97/1296673497.db2.gz RPUCHMJVGSCBTG-CTNGQTDRSA-N 1 0 346.515 3.190 10 10 EGCERO COc1ccc(N2CC[C@H]([NH2+][C@H]3CCOC4(CCCC4)C3)C2)cc1 ZINC000872084927 1296725741 /nfs/dbraw/zinc/72/57/41/1296725741.db2.gz LRHLKDWAUULQQU-IRXDYDNUSA-N 1 0 330.472 3.355 10 10 EGCERO COc1ccccc1N1CCC([NH2+]Cc2c(C)cccc2O)CC1 ZINC000585118592 1298029064 /nfs/dbraw/zinc/02/90/64/1298029064.db2.gz VIOBUMFLSICVIL-UHFFFAOYSA-N 1 0 326.440 3.468 10 10 EGCERO Oc1ccc(Br)cc1C[NH2+]C[C@@H]1CC2(CCC2)CO1 ZINC000886288560 1303422683 /nfs/dbraw/zinc/42/26/83/1303422683.db2.gz BPJIKUXJKMYJQJ-ZDUSSCGKSA-N 1 0 326.234 3.204 10 10 EGCERO Cc1cc(O)c(C[NH2+]C[C@@H]2CC[C@]3(CO[C@@H](C)C3)O2)c(Cl)c1 ZINC000886330324 1303436497 /nfs/dbraw/zinc/43/64/97/1303436497.db2.gz QQCVWNLHSAIGKH-DCGLDWPTSA-N 1 0 325.836 3.170 10 10 EGCERO CC(C)(C)OC(=O)N1CC(C[NH2+]CCCSc2nccs2)C1 ZINC000894304136 1306331950 /nfs/dbraw/zinc/33/19/50/1306331950.db2.gz OGWADMWLQFTRTI-UHFFFAOYSA-N 1 0 343.518 3.082 10 10 EGCERO COc1cc(C)cc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)OC(C)(C)C)c1O ZINC000894881446 1309113596 /nfs/dbraw/zinc/11/35/96/1309113596.db2.gz PEVARGGUYBKTFE-QWHCGFSZSA-N 1 0 338.448 3.101 10 10 EGCERO COC(=O)c1c(C[NH2+][C@H]2CS[C@H](C)C2)c2cc(F)ccc2n1C ZINC000894993416 1309147421 /nfs/dbraw/zinc/14/74/21/1309147421.db2.gz RUUBLWBJYUBHOV-ZYHUDNBSSA-N 1 0 336.432 3.088 10 10 EGCERO CCOc1ccc(O)c(CN(c2ccccn2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC000895110954 1309194679 /nfs/dbraw/zinc/19/46/79/1309194679.db2.gz FFVMYYGZVIZKSQ-QAQDUYKDSA-N 1 0 341.455 3.462 10 10 EGCERO CCN(CC)c1ccc(C[NH+]2CCC3(CC2)COCCO3)cc1F ZINC000895696611 1309470730 /nfs/dbraw/zinc/47/07/30/1309470730.db2.gz XJQPQBCYRFGESH-UHFFFAOYSA-N 1 0 336.451 3.053 10 10 EGCERO Oc1cc(Br)ccc1C[NH2+]C[C@H]1CC2(CCC2)CO1 ZINC000895789180 1309521141 /nfs/dbraw/zinc/52/11/41/1309521141.db2.gz MIRZQZMJHHWODS-CYBMUJFWSA-N 1 0 326.234 3.204 10 10 EGCERO CC1(C[NH2+]Cc2ccc(N3CCC(C(N)=O)CC3)cc2)CCCC1 ZINC000895814301 1309532165 /nfs/dbraw/zinc/53/21/65/1309532165.db2.gz OGEKRVYILJPZQB-UHFFFAOYSA-N 1 0 329.488 3.058 10 10 EGCERO O=C(NC[C@H]1CC[N@@H+]1C1CCCC1)c1cc2cc(O)c(O)cc2s1 ZINC000899142273 1310951328 /nfs/dbraw/zinc/95/13/28/1310951328.db2.gz UEZBJRYYCVILHJ-CYBMUJFWSA-N 1 0 346.452 3.059 10 10 EGCERO COc1cccc(O)c1C[N@@H+]1CC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858015222 1328660060 /nfs/dbraw/zinc/66/00/60/1328660060.db2.gz SYKHWIVLWBCPGJ-MRXNPFEDSA-N 1 0 340.423 3.327 10 10 EGCERO CC1(C)OC[C@@H]2C[C@@]21[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000858227611 1328716312 /nfs/dbraw/zinc/71/63/12/1328716312.db2.gz AKBBAMQKSXIDBV-HNAYVOBHSA-N 1 0 345.443 3.242 10 10 EGCERO Cc1ccc(O)c(C[NH2+]C[C@@H]2CN(c3ccc(Cl)cc3)CCO2)c1 ZINC000858245766 1328721407 /nfs/dbraw/zinc/72/14/07/1328721407.db2.gz WZEVDSRCBLASSW-GOSISDBHSA-N 1 0 346.858 3.349 10 10 EGCERO Oc1ccccc1C[N@H+](CCCc1cccnc1)C[C@@H]1CCCO1 ZINC000929970249 1328752943 /nfs/dbraw/zinc/75/29/43/1328752943.db2.gz JCUOLCUXYUPDHL-IBGZPJMESA-N 1 0 326.440 3.401 10 10 EGCERO C[C@H]([NH2+][C@@H]1CCN(C2CCC2)C1=O)c1cc2c(cc1O)CCCC2 ZINC000858602875 1328806019 /nfs/dbraw/zinc/80/60/19/1328806019.db2.gz LCYNNENLYOPOCB-SCLBCKFNSA-N 1 0 328.456 3.075 10 10 EGCERO CCC1([NH+]2CCCCC2)CCN(C(=O)c2ccc(C)c(O)c2O)CC1 ZINC000915125488 1319428154 /nfs/dbraw/zinc/42/81/54/1319428154.db2.gz KKTZSVYWQACQNO-UHFFFAOYSA-N 1 0 346.471 3.277 10 10 EGCERO CCCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](Cc2cc3c(cc2O)CCC3)C1 ZINC000921054042 1322250113 /nfs/dbraw/zinc/25/01/13/1322250113.db2.gz SEGMQEYMITXFEV-MAUKXSAKSA-N 1 0 344.499 3.398 10 10 EGCERO Cn1cc(C[C@@H]2CCC[C@@H]2[NH2+]Cc2ccc3c(c2)CCCO3)cn1 ZINC000922254255 1322488687 /nfs/dbraw/zinc/48/86/87/1322488687.db2.gz MZZHENWJZXYOHH-HKUYNNGSSA-N 1 0 325.456 3.246 10 10 EGCERO CCOCc1cc(C[NH2+]C[C@H]2CC[C@H](C(F)(F)F)O2)ccc1OC ZINC000922463986 1322533995 /nfs/dbraw/zinc/53/39/95/1322533995.db2.gz UPLRGAPYVBRCGG-GDBMZVCRSA-N 1 0 347.377 3.431 10 10 EGCERO OC1(C2(C[NH2+]Cc3ccc(N4CCCCC4)cc3)CC2)CCOCC1 ZINC000922597699 1322566536 /nfs/dbraw/zinc/56/65/36/1322566536.db2.gz WFSBPCAPKUZGTM-UHFFFAOYSA-N 1 0 344.499 3.088 10 10 EGCERO C[C@H]([NH2+][C@@H]1CC[C@@H]2COCC[C@H]2C1)c1ccc(N2CCOCC2)cc1 ZINC000924794783 1323165511 /nfs/dbraw/zinc/16/55/11/1323165511.db2.gz HQNGRDNKLGTSRU-IJXRJRJASA-N 1 0 344.499 3.379 10 10 EGCERO OC1CCN(c2ccc(C[NH2+]C3C[C@H]4CC[C@@H](C3)S4)cc2)CC1 ZINC000926725356 1327685480 /nfs/dbraw/zinc/68/54/80/1327685480.db2.gz QOIUGWZQDLCJFR-QNBRMCRTSA-N 1 0 332.513 3.164 10 10 EGCERO C[C@H]([NH2+]C[C@@H]1CCC2(CCOCC2)O1)c1cc(Cl)ccc1O ZINC000927017995 1327822334 /nfs/dbraw/zinc/82/23/34/1327822334.db2.gz XJVCAYMZQMHXQA-JSGCOSHPSA-N 1 0 325.836 3.424 10 10 EGCERO C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)S2(=O)=O)c1cc2c(cc1O)CCCC2 ZINC000927038144 1327827191 /nfs/dbraw/zinc/82/71/91/1327827191.db2.gz CKBICINXJHIDDS-RJCAOGMDSA-N 1 0 349.496 3.030 10 10 EGCERO C[C@H]([NH2+]CCOC1CCOCC1)c1ccc(Br)cc1O ZINC000927077685 1327847567 /nfs/dbraw/zinc/84/75/67/1327847567.db2.gz BLCXTIYSFSAOAB-NSHDSACASA-N 1 0 344.249 3.001 10 10 EGCERO O=C(NCc1c(O)cccc1F)C1CC[NH+](Cc2ccccc2)CC1 ZINC000928711544 1328407260 /nfs/dbraw/zinc/40/72/60/1328407260.db2.gz INUYIGWGBSNEQX-UHFFFAOYSA-N 1 0 342.414 3.060 10 10 EGCERO Oc1cccc(Br)c1C[N@@H+]1CCC[C@H]2COCC[C@H]21 ZINC000862252986 1329472074 /nfs/dbraw/zinc/47/20/74/1329472074.db2.gz YZKLRMJVCKOWIA-SMDDNHRTSA-N 1 0 326.234 3.156 10 10 EGCERO Cc1ncc(C[NH2+]C2CCN(c3ccc(OC(F)F)cc3)CC2)o1 ZINC000862274301 1329472966 /nfs/dbraw/zinc/47/29/66/1329472966.db2.gz IMKCVXWHJVMROZ-UHFFFAOYSA-N 1 0 337.370 3.343 10 10 EGCERO COC(=O)Cc1ccc(C[NH2+]Cc2cc(Cl)c(C)cc2O)cc1 ZINC000862446508 1329487958 /nfs/dbraw/zinc/48/79/58/1329487958.db2.gz FQQNSGBOLNSZKE-UHFFFAOYSA-N 1 0 333.815 3.359 10 10 EGCERO C[C@H](C[N@H+](C)Cc1cc2c(cc1O)CCC2)NC(=O)OC(C)(C)C ZINC000863334921 1329547698 /nfs/dbraw/zinc/54/76/98/1329547698.db2.gz DZRCGRATCAYTII-CYBMUJFWSA-N 1 0 334.460 3.226 10 10 EGCERO Cc1cc(Cl)cc(CN2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)c1O ZINC000863646362 1329570162 /nfs/dbraw/zinc/57/01/62/1329570162.db2.gz RWKGDZGPWUONRF-DGCLKSJQSA-N 1 0 336.785 3.313 10 10 EGCERO CC(C)([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)[C@H]1CCCCO1 ZINC000865745159 1329734643 /nfs/dbraw/zinc/73/46/43/1329734643.db2.gz FZFUAFMRFJGAJI-GOSISDBHSA-N 1 0 336.451 3.100 10 10 EGCERO CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@H](C3CCOCC3)C2)c1O ZINC000933076787 1329859719 /nfs/dbraw/zinc/85/97/19/1329859719.db2.gz BOUFPSYGCLGWEM-HNNXBMFYSA-N 1 0 335.419 3.373 10 10 EGCERO CCC[C@@H](CCO)[NH2+][C@H](C)c1cc(Br)cc(OC)c1O ZINC000866414221 1330108760 /nfs/dbraw/zinc/10/87/60/1330108760.db2.gz ARUATSYAAGVSPU-PWSUYJOCSA-N 1 0 346.265 3.365 10 10 EGCERO C[C@H]1C[C@H]([NH2+]CCOCC(=O)OC(C)(C)C)c2c1c(F)ccc2O ZINC000866437412 1330112549 /nfs/dbraw/zinc/11/25/49/1330112549.db2.gz GQXAXDWUCMYYTR-AAEUAGOBSA-N 1 0 339.407 3.028 10 10 EGCERO CC[C@H]([NH2+]C1CCN(CC(=O)OC(C)(C)C)CC1)c1ccccc1O ZINC000866526969 1330121653 /nfs/dbraw/zinc/12/16/53/1330121653.db2.gz RQUSOGVAYIGRQN-KRWDZBQOSA-N 1 0 348.487 3.239 10 10 EGCERO C[C@H](NC(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C)c1ccccc1O ZINC000868278149 1330267049 /nfs/dbraw/zinc/26/70/49/1330267049.db2.gz HUQWADAUYHEZAD-SUMWQHHRSA-N 1 0 345.418 3.194 10 10 EGCERO C[C@@H](NC(=O)NC1CCC(C)([NH+](C)C)CC1)c1ccc(N(C)C)cc1 ZINC000868515968 1330289141 /nfs/dbraw/zinc/28/91/41/1330289141.db2.gz YBDIBJPJNBQNMY-XRTORIHISA-N 1 0 346.519 3.376 10 10 EGCERO CC[C@H](C)C(=O)N1CC[C@@](C)(C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001324692686 1387740025 /nfs/dbraw/zinc/74/00/25/1387740025.db2.gz GBXDYMNCJLCDNF-YWZLYKJASA-N 1 0 332.488 3.378 10 10 EGCERO Cc1ccc(C)n1-c1ccc(C(=O)N2C[C@H]3C[N@@H+](C)C[C@@]3(C)C2)cc1 ZINC001134548780 1376586854 /nfs/dbraw/zinc/58/68/54/1376586854.db2.gz WYENJCRNXYRWMP-NQIIRXRSSA-N 1 0 337.467 3.118 10 10 EGCERO CC/C=C/CC[N@H+](C)CCN(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001268260830 1377503512 /nfs/dbraw/zinc/50/35/12/1377503512.db2.gz ZXXANROIKJJQAH-PITQJNJHSA-N 1 0 345.447 3.209 10 10 EGCERO CC(C)[C@H](C(=O)NCc1c(O)ccc2c1CCCC2)[NH+]1CCCCC1 ZINC001137443247 1377548827 /nfs/dbraw/zinc/54/88/27/1377548827.db2.gz ICNTZKBQXDQEHW-HXUWFJFHSA-N 1 0 344.499 3.398 10 10 EGCERO CCCCC[NH2+]C1(CNC(=O)c2ccc(N=NC(N)=O)cc2)CCC1 ZINC001280549039 1378354747 /nfs/dbraw/zinc/35/47/47/1378354747.db2.gz QPHUJMRLDICDPB-UHFFFAOYSA-N 1 0 345.447 3.281 10 10 EGCERO COc1ccc(C[NH2+][C@H](C)[C@H](C)NC(=O)CCc2ccco2)cc1C ZINC001282096530 1378475011 /nfs/dbraw/zinc/47/50/11/1378475011.db2.gz PSJBNELBANORKC-CVEARBPZSA-N 1 0 344.455 3.212 10 10 EGCERO COc1ccc(N(C)CC[N@H+](C)CCc2ncc(C)cc2C)cc1 ZINC001307898079 1384052998 /nfs/dbraw/zinc/05/29/98/1384052998.db2.gz XJKCDEJEVIZQPC-UHFFFAOYSA-N 1 0 327.472 3.318 10 10 EGCERO CCN(C)c1ccc(C[N@@H+]2CCOc3ccccc3[C@@H]2CO)cc1 ZINC001308103986 1384092651 /nfs/dbraw/zinc/09/26/51/1384092651.db2.gz AZVABTCDNLSTPD-IBGZPJMESA-N 1 0 326.440 3.071 10 10 EGCERO C[C@@H]1[C@@H](C)[C@H](C)CN1C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001313410843 1384416511 /nfs/dbraw/zinc/41/65/11/1384416511.db2.gz FWWSXWQITBRYRQ-YYAJDYIMSA-N 1 0 346.519 3.041 10 10 EGCERO COc1ccc(C[NH2+][C@H](C)[C@H](C)NC(=O)C2CC(C)(C)C2)cc1C ZINC001329027205 1388936051 /nfs/dbraw/zinc/93/60/51/1388936051.db2.gz KLOHDCKAOIJERO-CABCVRRESA-N 1 0 332.488 3.423 10 10 EGCERO c1cn2c(cccc2C[NH2+]Cc2ccc(N3CCSCC3)cc2)n1 ZINC001177315413 1385910382 /nfs/dbraw/zinc/91/03/82/1385910382.db2.gz YYVKIKVSKWWXAZ-UHFFFAOYSA-N 1 0 338.480 3.177 10 10 EGCERO c1cc(N2CCCC2)ccc1C[NH2+]CCCOCC1CCOCC1 ZINC001177904361 1386079082 /nfs/dbraw/zinc/07/90/82/1386079082.db2.gz ICGBSLSJLNGRKZ-UHFFFAOYSA-N 1 0 332.488 3.210 10 10 EGCERO COc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]2CC23CCC3)cc1C ZINC001319541131 1386169975 /nfs/dbraw/zinc/16/99/75/1386169975.db2.gz QPUAAFWNDSUJGH-RDJZCZTQSA-N 1 0 330.472 3.130 10 10 EGCERO CCC1(C(=O)NC[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C(C)C)CC1 ZINC001319943820 1386406715 /nfs/dbraw/zinc/40/67/15/1386406715.db2.gz LXRSTSCIDDJOHA-QGZVFWFLSA-N 1 0 332.488 3.424 10 10 EGCERO COc1ccc(C[NH2+][C@H](CCN(C)C(=O)C(F)F)C(C)C)cc1C ZINC001329720914 1389209297 /nfs/dbraw/zinc/20/92/97/1389209297.db2.gz PNCQKDFZSPXLNJ-OAHLLOKOSA-N 1 0 342.430 3.231 10 10 EGCERO COc1cc(Br)cc([C@H](C)[NH2+][C@H]2CC[C@@H](OC)C2)c1O ZINC001332947337 1390221466 /nfs/dbraw/zinc/22/14/66/1390221466.db2.gz WVJVAHFWIVDMHU-ZMLRMANQSA-N 1 0 344.249 3.381 10 10 EGCERO Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2[NH2+]Cc1nnc(C2CCOCC2)[nH]1 ZINC001335520963 1390697991 /nfs/dbraw/zinc/69/79/91/1390697991.db2.gz KFGFLHUZFYDNJG-JSGCOSHPSA-N 1 0 342.443 3.051 10 10 EGCERO C[C@H]([NH2+]C[C@@H](O)CC[C@H](O)c1ccccc1)c1ccc(N(C)C)cc1 ZINC001351320691 1391626784 /nfs/dbraw/zinc/62/67/84/1391626784.db2.gz OCTKHSLFULKPRJ-NDXORKPFSA-N 1 0 342.483 3.278 10 10 EGCERO Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NC23CC[NH+](CC2)C3)c1 ZINC001354111502 1392121081 /nfs/dbraw/zinc/12/10/81/1392121081.db2.gz PDKWMOCYWGAPDI-UHFFFAOYSA-N 1 0 343.858 3.326 10 10 EGCERO COc1ccc(C[NH2+][C@@H](C)CNC(=O)[C@H](C)C2CCCC2)cc1C ZINC001480570428 1392795976 /nfs/dbraw/zinc/79/59/76/1392795976.db2.gz RXGNJWFTESPEAC-JKSUJKDBSA-N 1 0 332.488 3.424 10 10 EGCERO C=C/C(C)=C\CC(=O)N1CC[C@H](C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001480662621 1392841086 /nfs/dbraw/zinc/84/10/86/1392841086.db2.gz UUIKSBOXPVGMJK-QIVUSQLPSA-N 1 0 342.483 3.464 10 10 EGCERO COc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)[C@@H](C)C2CCC2)cc1C ZINC001482297657 1394874330 /nfs/dbraw/zinc/87/43/30/1394874330.db2.gz DEASICWUCJLWSU-HOTGVXAUSA-N 1 0 332.488 3.376 10 10 EGCERO COc1ccc(C[NH2+]CC[C@H]2CCCCN2C(=O)C(F)F)cc1C ZINC001482441260 1395001567 /nfs/dbraw/zinc/00/15/67/1395001567.db2.gz NQLHWJXXSJPIDT-OAHLLOKOSA-N 1 0 340.414 3.130 10 10 EGCERO CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H](C)CC[NH+](CC)CC ZINC001687873670 1396515524 /nfs/dbraw/zinc/51/55/24/1396515524.db2.gz KIXMRVBMEQKAPF-KRWDZBQOSA-N 1 0 348.535 3.405 10 10 EGCERO COc1ccc(C[NH2+][C@H]2CCN(C(=O)CCCF)C[C@@H]2C)cc1C ZINC001496358908 1396665303 /nfs/dbraw/zinc/66/53/03/1396665303.db2.gz DEPYNVQAZRNQND-RDJZCZTQSA-N 1 0 336.451 3.080 10 10 EGCERO COc1ccc(C[NH2+][C@@H](C)CNC(=O)C[C@@H](C)C(F)(F)F)cc1C ZINC001690618012 1404655994 /nfs/dbraw/zinc/65/59/94/1404655994.db2.gz QJRHEFHHDREEEA-OLZOCXBDSA-N 1 0 346.393 3.186 10 10 EGCERO COc1ccc(C[NH2+][C@H](C)CCNC(=O)c2ccccc2F)cc1C ZINC001690830281 1404766460 /nfs/dbraw/zinc/76/64/60/1404766460.db2.gz XZBFPBBBLFRZFH-OAHLLOKOSA-N 1 0 344.430 3.441 10 10 EGCERO COc1ccc(C[NH2+]CCC[C@H](C)NC(=O)c2nccs2)cc1C ZINC001725408075 1426052050 /nfs/dbraw/zinc/05/20/50/1426052050.db2.gz QWOMZWUKNJTMDT-AWEZNQCLSA-N 1 0 347.484 3.148 10 10 EGCERO CCC[N@H+](C)C[C@@H]1CCCCN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001691798699 1405511031 /nfs/dbraw/zinc/51/10/31/1405511031.db2.gz MLUKUONJBCLIFO-INIZCTEOSA-N 1 0 345.447 3.186 10 10 EGCERO CC[C@H](CNC(=O)c1occc1C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001732192715 1428444105 /nfs/dbraw/zinc/44/41/05/1428444105.db2.gz VEZSKUWMRXMPJO-MRXNPFEDSA-N 1 0 330.428 3.203 10 10 EGCERO COc1ccc(C[NH2+]CC[C@H](C)NC(=O)[C@@H]2C[C@H]2C2CCC2)cc1C ZINC001699140856 1412531342 /nfs/dbraw/zinc/53/13/42/1412531342.db2.gz BJLLTHYQMVOFOE-ZYSHUDEJSA-N 1 0 344.499 3.424 10 10 EGCERO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)[C@@H]2CCCC2(C)C)cc1C ZINC001699377713 1412685149 /nfs/dbraw/zinc/68/51/49/1412685149.db2.gz LUBXORDLNRBPJC-WBVHZDCISA-N 1 0 332.488 3.424 10 10 EGCERO CC/C=C/CC[N@H+](C)C[C@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001699476314 1412868972 /nfs/dbraw/zinc/86/89/72/1412868972.db2.gz KXHZFSSFKJFOEF-RPGHOQSFSA-N 1 0 345.447 3.255 10 10 EGCERO CCc1occc1C(=O)N(C)C[C@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001700746630 1414414698 /nfs/dbraw/zinc/41/46/98/1414414698.db2.gz UFYIDZLNHDAOFV-HNNXBMFYSA-N 1 0 344.455 3.409 10 10 EGCERO COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)c2cc(C)sn2)cc1C ZINC001700746677 1414415770 /nfs/dbraw/zinc/41/57/70/1414415770.db2.gz UULCPQBHKOAIHY-ZDUSSCGKSA-N 1 0 347.484 3.019 10 10 EGCERO COc1ccc(C[NH2+]C[C@@H]2CCC[C@H]2NC(=O)CCCF)cc1C ZINC001732620139 1428882508 /nfs/dbraw/zinc/88/25/08/1428882508.db2.gz LWIDVOIBUDPQPL-DLBZAZTESA-N 1 0 336.451 3.128 10 10 EGCERO CCC[C@H](C)C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001707061737 1417177300 /nfs/dbraw/zinc/17/73/00/1417177300.db2.gz LRTUJPCKDLMXLR-JCGIZDLHSA-N 1 0 332.488 3.424 10 10 EGCERO COc1ccc(C[NH2+][C@H](C)CCNC(=O)C(C)=C2CCC2)cc1C ZINC001713407363 1418030286 /nfs/dbraw/zinc/03/02/86/1418030286.db2.gz BHHDLFNNUBUYDS-OAHLLOKOSA-N 1 0 330.472 3.488 10 10 EGCERO CCC(C)(C)C(=O)NC[C@H]([NH2+]Cc1ccc(OC)c(C)c1)C1CC1 ZINC001713874306 1418670647 /nfs/dbraw/zinc/67/06/47/1418670647.db2.gz HIALHAHRPZFYRG-KRWDZBQOSA-N 1 0 332.488 3.424 10 10 EGCERO CC/C=C\CC[NH2+][C@H]1C[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001714022926 1418806572 /nfs/dbraw/zinc/80/65/72/1418806572.db2.gz WPMQCXWVUORQFK-PROGDYLCSA-N 1 0 343.431 3.056 10 10 EGCERO COc1ccc(C[NH2+]C[C@H](C)NC(=O)[C@H]2CCC(C)(C)C2)cc1C ZINC001715995754 1420449883 /nfs/dbraw/zinc/44/98/83/1420449883.db2.gz PTAZDLBLELCPQU-RDJZCZTQSA-N 1 0 332.488 3.424 10 10 EGCERO COc1ccc(C[NH2+]CCCN(C)C(=O)[C@H](C)C(C)(F)F)cc1C ZINC001716568476 1420763295 /nfs/dbraw/zinc/76/32/95/1420763295.db2.gz MJBVVMZYQZLKIT-AWEZNQCLSA-N 1 0 342.430 3.233 10 10 EGCERO CCC[NH2+][C@H](CCN(C)C(=O)c1ccc(N=NC(N)=O)cc1)C(C)C ZINC001717517555 1421454987 /nfs/dbraw/zinc/45/49/87/1421454987.db2.gz KRLBRUQZLBZUFX-MRXNPFEDSA-N 1 0 347.463 3.335 10 10 EGCERO CC/C=C(\C)C(=O)NCC1([NH2+]Cc2ccc(OC)c(C)c2)CCC1 ZINC001724781367 1425146772 /nfs/dbraw/zinc/14/67/72/1425146772.db2.gz BXAWQOFFIJUUFD-VIZOYTHASA-N 1 0 330.472 3.488 10 10 EGCERO COc1ccc(C[NH2+]C2(CNC(=O)[C@@H]3CC3(C)C)CCC2)cc1C ZINC001733714783 1429932634 /nfs/dbraw/zinc/93/26/34/1429932634.db2.gz UNCNHWQENHWAPG-INIZCTEOSA-N 1 0 330.472 3.178 10 10 EGCERO CC/C=C(/C)C(=O)NC1CC(C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001733944006 1437759952 /nfs/dbraw/zinc/75/99/52/1437759952.db2.gz CEAPFCAQFVCZMC-NSIKDUERSA-N 1 0 330.472 3.344 10 10 EGCERO C[N@H+](CC(=O)NC(C)(C)C)Cc1c2c(ccc1O)oc1c2CCCC1 ZINC000054441809 214238847 /nfs/dbraw/zinc/23/88/47/214238847.db2.gz WBOGCAWPEBCFAM-UHFFFAOYSA-N 1 0 344.455 3.364 10 10 EGCERO CCC[N@@H+](Cc1ccccc1O)C[C@@H](O)COCc1ccccc1 ZINC000076074276 453958450 /nfs/dbraw/zinc/95/84/50/453958450.db2.gz AMZRQVWGEWMGBQ-LJQANCHMSA-N 1 0 329.440 3.182 10 10 EGCERO CCOc1ccc(O)c(C[N@H+](C)Cc2ccc([S@@](C)=O)cc2)c1 ZINC000093713049 454730656 /nfs/dbraw/zinc/73/06/56/454730656.db2.gz DXDCQAGISJAVAW-QHCPKHFHSA-N 1 0 333.453 3.160 10 10 EGCERO CC[C@@H]([NH2+][C@@H](Cc1ccccc1)C(=O)N(C)C)c1ccccc1O ZINC000155759051 455041793 /nfs/dbraw/zinc/04/17/93/455041793.db2.gz NLWWDDRJRZGNOS-MSOLQXFVSA-N 1 0 326.440 3.132 10 10 EGCERO CCN(CC)c1ccc(C[N@@H+]2CCC[C@H](Cn3cncn3)C2)cc1 ZINC000128486751 455061245 /nfs/dbraw/zinc/06/12/45/455061245.db2.gz YVQALCXOEIVCKL-SFHVURJKSA-N 1 0 327.476 3.037 10 10 EGCERO Cc1cc(Cl)cc(C[N@@H+](C)[C@H]2CCCN(c3cccnn3)C2)c1O ZINC000180079362 455128853 /nfs/dbraw/zinc/12/88/53/455128853.db2.gz DEXCHDYXGFPXCI-INIZCTEOSA-N 1 0 346.862 3.245 10 10 EGCERO C[C@@H]([NH2+][C@H](Cc1ccccc1)C(=O)N(C)C)c1cc(Cl)ccc1O ZINC000185407549 455555861 /nfs/dbraw/zinc/55/58/61/455555861.db2.gz QASFRFHUNGDPRK-CXAGYDPISA-N 1 0 346.858 3.396 10 10 EGCERO C[C@H]([NH2+][C@H]1CCN(Cc2ccccn2)C[C@H]1C)c1cc(F)ccc1O ZINC000185473582 455562734 /nfs/dbraw/zinc/56/27/34/455562734.db2.gz MWEQBOKLJBJNGG-VCBZYWHSSA-N 1 0 343.446 3.488 10 10 EGCERO CCc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1cc3c(cc1O)CCCC3)CC2 ZINC000185995649 455670971 /nfs/dbraw/zinc/67/09/71/455670971.db2.gz HUDPRURTVVIYRD-XJKSGUPXSA-N 1 0 340.471 3.091 10 10 EGCERO CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2cc(OC)ccc2O)C12CCOCC2 ZINC000248621795 455723763 /nfs/dbraw/zinc/72/37/63/455723763.db2.gz AVDNVORTVXFZPI-JEBQAFNWSA-N 1 0 335.444 3.026 10 10 EGCERO C[C@H]([NH2+][C@@H]1CCO[C@@H](C2CC2)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000248791802 455731811 /nfs/dbraw/zinc/73/18/11/455731811.db2.gz IWENONGLGCNNIE-JNAXZKDPSA-N 1 0 348.462 3.271 10 10 EGCERO COC1CCN(c2ccc(C[N@@H+]3CC[C@H](C)[C@H](OC)C3)cc2)CC1 ZINC000295930628 455863265 /nfs/dbraw/zinc/86/32/65/455863265.db2.gz HEYUAETZRGWPLZ-OXJNMPFZSA-N 1 0 332.488 3.159 10 10 EGCERO CC[C@@H]([NH2+][C@@H]1CCCN(c2cc(C)nn2C)C1)c1ccc(C)cc1O ZINC000280058373 455882911 /nfs/dbraw/zinc/88/29/11/455882911.db2.gz KDWAJIAWLPPOED-SJLPKXTDSA-N 1 0 342.487 3.452 10 10 EGCERO COC(=O)c1ccc(C[N@H+](Cc2ccc(N(C)C)cc2)C(C)C)nc1 ZINC000286011072 455959280 /nfs/dbraw/zinc/95/92/80/455959280.db2.gz OMTAMGWQWXEOKS-UHFFFAOYSA-N 1 0 341.455 3.345 10 10 EGCERO Cc1cccnc1CC[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000296650456 456000678 /nfs/dbraw/zinc/00/06/78/456000678.db2.gz YVVFIKPSUMLVIR-INIZCTEOSA-N 1 0 343.446 3.259 10 10 EGCERO Cc1cc(Br)cc(C[NH2+][C@@H]2C[C@@H]3OCCC[C@H]23)c1O ZINC000188569362 456087093 /nfs/dbraw/zinc/08/70/93/456087093.db2.gz WSPKQSFBGBJWTA-MCIONIFRSA-N 1 0 326.234 3.120 10 10 EGCERO C[C@H]([NH2+]C[C@H]1CCN(C(=O)OC(C)(C)C)C1)c1cc(F)ccc1O ZINC000273470334 456233335 /nfs/dbraw/zinc/23/33/35/456233335.db2.gz RXFPMQCYALHAAO-QWHCGFSZSA-N 1 0 338.423 3.439 10 10 EGCERO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCOC3(CCSCC3)C2)c1 ZINC000273493101 456234462 /nfs/dbraw/zinc/23/44/62/456234462.db2.gz OREVLFXUHVXSOL-UONOGXRCSA-N 1 0 337.485 3.496 10 10 EGCERO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)c2nnc3n2CCCCC3)c1 ZINC000373931005 457407065 /nfs/dbraw/zinc/40/70/65/457407065.db2.gz AAXYDLDGJUCIOJ-STQMWFEESA-N 1 0 330.432 3.131 10 10 EGCERO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@@H](C)C2CC2)C1 ZINC000435615482 458173032 /nfs/dbraw/zinc/17/30/32/458173032.db2.gz JDUQJPQXKKHJMG-HNNXBMFYSA-N 1 0 339.483 3.323 10 10 EGCERO CC[C@H]1C[N@H+](Cc2cc(Cl)cc(C)c2O)C[C@@]2(CCOC2)O1 ZINC000373484795 458506655 /nfs/dbraw/zinc/50/66/55/458506655.db2.gz YDOYLCVEKJNDPN-DOTOQJQBSA-N 1 0 325.836 3.124 10 10 EGCERO C[C@@H]1C[C@H]([NH2+]C[C@H]2c3ccccc3C(=O)N2C)c2c1c(F)ccc2O ZINC000528008129 459794197 /nfs/dbraw/zinc/79/41/97/459794197.db2.gz WPTMLIFLUBHERX-RLCCDNCMSA-N 1 0 340.398 3.496 10 10 EGCERO Cc1cc(C(=O)N2CCC[C@@H]2C[NH+](C)C)c(C)n1-c1ccc(F)cc1 ZINC000727750291 574688659 /nfs/dbraw/zinc/68/86/59/574688659.db2.gz WHYXMEMXEJODQG-GOSISDBHSA-N 1 0 343.446 3.399 10 10 EGCERO CCC[N@@H+](Cc1ccccc1O)C[C@H](O)COc1ccc(C)cc1 ZINC000727830844 574692975 /nfs/dbraw/zinc/69/29/75/574692975.db2.gz QLLXDAFOGYXJPG-SFHVURJKSA-N 1 0 329.440 3.353 10 10 EGCERO CCCN(CCC)c1ccc(C[NH2+]CCN2CCOC[C@@H]2C)cc1 ZINC000729679376 574877940 /nfs/dbraw/zinc/87/79/40/574877940.db2.gz ZPOQXPSIHJGISK-SFHVURJKSA-N 1 0 333.520 3.123 10 10 EGCERO COC(=O)[C@H]1CCC[N@H+](Cc2c3c(ccc2O)oc2c3CCCC2)C1 ZINC000738055119 576283381 /nfs/dbraw/zinc/28/33/81/576283381.db2.gz FTJYGUOFKGVNIR-ZDUSSCGKSA-N 1 0 343.423 3.402 10 10 EGCERO Cc1cc(O)c(C[NH2+][C@@H](C)c2cccc(NS(C)(=O)=O)c2)cc1C ZINC000742369264 576774408 /nfs/dbraw/zinc/77/44/08/576774408.db2.gz QUFZAXYNKKRHJE-AWEZNQCLSA-N 1 0 348.468 3.231 10 10 EGCERO Cc1cc(Br)cc(C[N@@H+]2CC[C@@H]3OCC[C@H]3C2)c1O ZINC000724814349 1298348832 /nfs/dbraw/zinc/34/88/32/1298348832.db2.gz NFNFISFJKMLTKZ-FZMZJTMJSA-N 1 0 326.234 3.074 10 10 EGCERO CC(=O)c1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccccc2O)cc1 ZINC000879651311 1300651038 /nfs/dbraw/zinc/65/10/38/1300651038.db2.gz QVRUTPHVJMIWAV-QWHCGFSZSA-N 1 0 326.396 3.273 10 10 EGCERO COc1cc(C)cc(C[NH2+][C@H](C)[C@H](C)NC(=O)OC(C)(C)C)c1O ZINC000894881444 1309112852 /nfs/dbraw/zinc/11/28/52/1309112852.db2.gz PEVARGGUYBKTFE-OLZOCXBDSA-N 1 0 338.448 3.101 10 10 EGCERO Oc1ccc(Br)cc1C[N@@H+]1CC[C@H]([C@@H]2CCCO2)C1 ZINC000895848464 1309557158 /nfs/dbraw/zinc/55/71/58/1309557158.db2.gz ZMPUOVJCMNWPCF-NHYWBVRUSA-N 1 0 326.234 3.156 10 10 EGCERO CCc1onc(C)c1C[N@@H+]1CCCN(c2ccc(OC)cc2)CC1 ZINC000929317293 1328566378 /nfs/dbraw/zinc/56/63/78/1328566378.db2.gz YRBMJEQZDNQOIM-UHFFFAOYSA-N 1 0 329.444 3.266 10 10 EGCERO CN(C)c1cc(F)c(C[NH2+][C@H]2CCC[C@H]2Cc2cnn(C)c2)cc1F ZINC000858193632 1328707998 /nfs/dbraw/zinc/70/79/98/1328707998.db2.gz YWCPFGLGECTOKJ-KSSFIOAISA-N 1 0 348.441 3.265 10 10 EGCERO Oc1ccccc1C[N@@H+](Cc1ccco1)C[C@H](O)CCC1(O)CCC1 ZINC000929969748 1328753058 /nfs/dbraw/zinc/75/30/58/1328753058.db2.gz CPMIMDKEWNIFGM-QGZVFWFLSA-N 1 0 345.439 3.044 10 10 EGCERO C[C@H]([NH2+]C[C@H]1COCCN1C)c1ccc(N2CCCCCC2)cc1 ZINC000858522448 1328787521 /nfs/dbraw/zinc/78/75/21/1328787521.db2.gz ZAHAOWAFXUPODZ-PXNSSMCTSA-N 1 0 331.504 3.048 10 10 EGCERO COc1ccc2c(c1)C[C@@H](C[NH2+][C@@H](C)c1cc(OC)ccc1O)O2 ZINC000930216409 1328813669 /nfs/dbraw/zinc/81/36/69/1328813669.db2.gz HEWQOQOTQAGNDO-LRDDRELGSA-N 1 0 329.396 3.064 10 10 EGCERO COc1ccc2c(c1)C[C@H](C[NH2+][C@H](C)c1cc(OC)ccc1O)O2 ZINC000930216410 1328814076 /nfs/dbraw/zinc/81/40/76/1328814076.db2.gz HEWQOQOTQAGNDO-MLGOLLRUSA-N 1 0 329.396 3.064 10 10 EGCERO Cc1cc(C(=O)N2CCC([NH+](C)C)CC2)c(C)n1-c1ccc(F)cc1 ZINC000915265288 1319457012 /nfs/dbraw/zinc/45/70/12/1319457012.db2.gz FMZLREPHBDVIMI-UHFFFAOYSA-N 1 0 343.446 3.399 10 10 EGCERO COc1ccc(N2CC[C@H](C[NH2+][C@@H]3CC[C@@H]4COCC[C@@H]4C3)C2)cc1 ZINC000922197460 1322477123 /nfs/dbraw/zinc/47/71/23/1322477123.db2.gz UKGXTELELXTLBN-NCXUSEDFSA-N 1 0 344.499 3.316 10 10 EGCERO CC[C@H](C[C@@](C)(O)CC)[NH2+]C[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000926611120 1327634201 /nfs/dbraw/zinc/63/42/01/1327634201.db2.gz IFOAWRUDSKKGOW-QKLQHJQFSA-N 1 0 334.504 3.441 10 10 EGCERO COc1ccc(N2CC[C@H](C[NH2+][C@@H](C3CCC3)[C@@H]3CCOC3)C2)cc1 ZINC000926610392 1327634434 /nfs/dbraw/zinc/63/44/34/1327634434.db2.gz CZGVBGJLJVUISX-BLIXFSHQSA-N 1 0 344.499 3.316 10 10 EGCERO COc1ccc(N2CC[C@@H]([NH2+][C@@H](C)C3(Br)CC3)C2)cc1 ZINC000926680315 1327663544 /nfs/dbraw/zinc/66/35/44/1327663544.db2.gz MBVMUDLZCFOEDI-QWHCGFSZSA-N 1 0 339.277 3.180 10 10 EGCERO C[C@@H]([NH2+]CC[C@H]1CNC(=O)C1)c1ccc(N2CCCCCC2)cc1 ZINC000926985130 1327808269 /nfs/dbraw/zinc/80/82/69/1327808269.db2.gz FBEFOAOEZGTMON-IAGOWNOFSA-N 1 0 329.488 3.244 10 10 EGCERO CCc1noc([C@@H]2CC[C@@H]([NH2+][C@H](C)c3cc(OC)ccc3O)C2)n1 ZINC000927054736 1327832914 /nfs/dbraw/zinc/83/29/14/1327832914.db2.gz ZNYFZNQUAMRJJC-JHJVBQTASA-N 1 0 331.416 3.333 10 10 EGCERO CCc1noc([C@@H]2CC[C@@H]([NH2+][C@@H](C)c3cccc(OC)c3O)C2)n1 ZINC000927057716 1327833405 /nfs/dbraw/zinc/83/34/05/1327833405.db2.gz PERNSQSLRXMAIT-YNEHKIRRSA-N 1 0 331.416 3.333 10 10 EGCERO C[C@@]12COC[C@]1(C)C[N@@H+](Cc1c(O)cccc1Br)C2 ZINC000862412165 1329484138 /nfs/dbraw/zinc/48/41/38/1329484138.db2.gz LVAGZFVIPHXQKL-GASCZTMLSA-N 1 0 326.234 3.013 10 10 EGCERO CCc1cccc(C[NH2+]C[C@@H]2CCN2Cc2ccc(OC)cc2)c1O ZINC000862476800 1329489720 /nfs/dbraw/zinc/48/97/20/1329489720.db2.gz YUQIQTGMWIYYOD-IBGZPJMESA-N 1 0 340.467 3.327 10 10 EGCERO CCC1(N2CCOCC2)CC[NH+](Cc2cc(Cl)ccc2O)CC1 ZINC000862535677 1329493610 /nfs/dbraw/zinc/49/36/10/1329493610.db2.gz VUBXSNQUSWSZOD-UHFFFAOYSA-N 1 0 338.879 3.122 10 10 EGCERO CC(C)(C)OC(=O)N1CCC=C(c2ccc(N3CC[NH2+]CC3)cc2)C1 ZINC000863713057 1329576568 /nfs/dbraw/zinc/57/65/68/1329576568.db2.gz FUBHYMQRNSJSTH-UHFFFAOYSA-N 1 0 343.471 3.120 10 10 EGCERO OC1CCN(c2ccc(C[NH2+]Cc3ccc(C(F)F)nc3)cc2)CC1 ZINC000865631403 1329722802 /nfs/dbraw/zinc/72/28/02/1329722802.db2.gz DZBVUAXEKZNTPC-UHFFFAOYSA-N 1 0 347.409 3.270 10 10 EGCERO Oc1cccc(Br)c1C[NH2+]C[C@@H]1CCC12CCOCC2 ZINC000865777284 1329737339 /nfs/dbraw/zinc/73/73/39/1329737339.db2.gz WEIJXONLCJNIBQ-LBPRGKRZSA-N 1 0 340.261 3.451 10 10 EGCERO CN(C)c1ccc(/C=C/C[NH2+]CCc2cn(C)c3ncccc23)cc1 ZINC000865811774 1329741211 /nfs/dbraw/zinc/74/12/11/1329741211.db2.gz DRLQLJCUCQSENG-GQCTYLIASA-N 1 0 334.467 3.485 10 10 EGCERO CC[C@@H](C[C@H](C)O)[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000865871012 1329747279 /nfs/dbraw/zinc/74/72/79/1329747279.db2.gz HRNCYAQNZFFXOQ-HOCLYGCPSA-N 1 0 335.448 3.224 10 10 EGCERO C[C@H]([NH2+][C@H]1CCN(CC(C)(C)O)C1)c1ccc2ccccc2c1O ZINC000866412133 1330108478 /nfs/dbraw/zinc/10/84/78/1330108478.db2.gz DVPXAJVSZPRGOI-HOCLYGCPSA-N 1 0 328.456 3.041 10 10 EGCERO C[C@H]([NH2+][C@H]1[C@@H]2OC[C@H]3C[C@H]1C[C@H]23)c1ccc(Br)cc1O ZINC000866446394 1330113524 /nfs/dbraw/zinc/11/35/24/1330113524.db2.gz VBRIZWBDELDPMZ-RFEWNFQQSA-N 1 0 338.245 3.229 10 10 EGCERO CC[C@H]([NH2+]C[C@@H]1CC2(CO1)CCOCC2)c1ccc(N(C)C)cc1 ZINC000866530898 1330122494 /nfs/dbraw/zinc/12/24/94/1330122494.db2.gz BTYWGRPBIRSFLD-OALUTQOASA-N 1 0 332.488 3.379 10 10 EGCERO CCN(C)c1ccc([C@@H](C)[NH2+]C[C@@H]2CC3(CO2)CCOCC3)cc1 ZINC000866531824 1330122565 /nfs/dbraw/zinc/12/25/65/1330122565.db2.gz HXXFCZTUTADFRU-APWZRJJASA-N 1 0 332.488 3.379 10 10 EGCERO C[C@H](NC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1)c1ccccc1O ZINC000868449150 1330281693 /nfs/dbraw/zinc/28/16/93/1330281693.db2.gz UGGLLCPNMPFACG-POZUXBRTSA-N 1 0 339.439 3.198 10 10 EGCERO COC(=O)N(C)CC[N@H+](C)Cc1cc2oc3ccccc3c2cc1O ZINC001118532904 1371194528 /nfs/dbraw/zinc/19/45/28/1371194528.db2.gz ZXELILLQODZXHF-UHFFFAOYSA-N 1 0 342.395 3.422 10 10 EGCERO CC(C)[C@]1(C)C[C@@H]1C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001134686139 1376658317 /nfs/dbraw/zinc/65/83/17/1376658317.db2.gz BCOVXFRLXQPHEE-GGPKGHCWSA-N 1 0 331.504 3.154 10 10 EGCERO CN(C)c1ccc([C@@H](CNC(=O)/C=C\c2ccsc2)[NH+](C)C)cc1 ZINC001134883002 1376765511 /nfs/dbraw/zinc/76/55/11/1376765511.db2.gz WPGRYEGMPKBRSG-PRCIHIDRSA-N 1 0 343.496 3.246 10 10 EGCERO COc1ccc(C[NH2+][C@@H](C)CCNC(=O)c2ccncc2C)cc1C ZINC001266143146 1377205276 /nfs/dbraw/zinc/20/52/76/1377205276.db2.gz CSFKZGWYCGIRGE-INIZCTEOSA-N 1 0 341.455 3.005 10 10 EGCERO COc1ccc(C[NH2+]CCN(C)C(=O)[C@@H]2CCCC23CC3)cc1C ZINC001266741242 1377370696 /nfs/dbraw/zinc/37/06/96/1377370696.db2.gz OAXFCZJHLTXSTL-KRWDZBQOSA-N 1 0 330.472 3.132 10 10 EGCERO CCOC(=O)CC(C)(C)CC(=O)C(=O)CC[N@H+](C)C1CCCCC1 ZINC001140198606 1378030530 /nfs/dbraw/zinc/03/05/30/1378030530.db2.gz KWNZFKSPJYSIMQ-UHFFFAOYSA-N 1 0 339.476 3.149 10 10 EGCERO C[C@H](NC(=O)c1ccc(C[NH+]2CCCC2)o1)c1ccc(N(C)C)cc1 ZINC001154668002 1380328138 /nfs/dbraw/zinc/32/81/38/1380328138.db2.gz BFZBJGXEEZFNAO-HNNXBMFYSA-N 1 0 341.455 3.432 10 10 EGCERO CCC[N@H+](CC)Cc1ccc(C(=O)NCc2cc(O)ccc2O)cc1 ZINC001303223450 1383788194 /nfs/dbraw/zinc/78/81/94/1383788194.db2.gz QAYMBPJOHHWWTG-UHFFFAOYSA-N 1 0 342.439 3.260 10 10 EGCERO CN(C)c1ccc(C[N@H+](C[C@@H]2CCC[C@@]3(CCOC3)O2)C2CC2)cc1 ZINC001307424115 1383988137 /nfs/dbraw/zinc/98/81/37/1383988137.db2.gz MXTCCCAWIAFILD-SFTDATJTSA-N 1 0 344.499 3.445 10 10 EGCERO CCCN1CCC[N@H+](Cc2ccc(N3CCCCC3)c(C)c2)CC1=O ZINC001169354076 1384139649 /nfs/dbraw/zinc/13/96/49/1384139649.db2.gz TZGDLHRDYOJMCF-UHFFFAOYSA-N 1 0 343.515 3.430 10 10 EGCERO CC[C@@H]1C[C@H](C)CN1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001313410105 1384416504 /nfs/dbraw/zinc/41/65/04/1384416504.db2.gz DMVPDHAUUKSBCA-WDYCEAGBSA-N 1 0 346.519 3.185 10 10 EGCERO CC/C=C(/C)C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001316628255 1384492640 /nfs/dbraw/zinc/49/26/40/1384492640.db2.gz HFOCNIQELYEOIY-GTNCECTCSA-N 1 0 330.472 3.344 10 10 EGCERO COc1ccc(C[NH2+]C2CC(CNC(=O)/C=C(\C)C3CC3)C2)cc1C ZINC001316813093 1384612076 /nfs/dbraw/zinc/61/20/76/1384612076.db2.gz DSSHKSPMRIZHOL-NTEUORMPSA-N 1 0 342.483 3.344 10 10 EGCERO COc1ccc(C[NH2+][C@H]2CCN(C(=O)/C=C/C(C)(C)C)C2)cc1C ZINC001317296588 1385068545 /nfs/dbraw/zinc/06/85/45/1385068545.db2.gz ABWGCYICVUZAKV-VMSUTVGLSA-N 1 0 330.472 3.296 10 10 EGCERO COc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)C2(CCF)CC2)cc1C ZINC001319503325 1386150305 /nfs/dbraw/zinc/15/03/05/1386150305.db2.gz RQTMOWDBHLKTFO-HNNXBMFYSA-N 1 0 336.451 3.080 10 10 EGCERO COc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)[C@H]2CC23CCC3)cc1C ZINC001319541129 1386169888 /nfs/dbraw/zinc/16/98/88/1386169888.db2.gz QPUAAFWNDSUJGH-DOTOQJQBSA-N 1 0 330.472 3.130 10 10 EGCERO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)c2sccc2F)cc1C ZINC001321499283 1386917067 /nfs/dbraw/zinc/91/70/67/1386917067.db2.gz AGBVIXONLKPDQT-GFCCVEGCSA-N 1 0 336.432 3.112 10 10 EGCERO COc1ccc(C[NH2+]C2CC(N(C)C(=O)/C=C(\C)C3CC3)C2)cc1C ZINC001333034655 1390240050 /nfs/dbraw/zinc/24/00/50/1390240050.db2.gz CTLHDSLFGVOUFF-GXDHUFHOSA-N 1 0 342.483 3.439 10 10 EGCERO C/C=C(/C)C(=O)N[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001480691816 1392856639 /nfs/dbraw/zinc/85/66/39/1392856639.db2.gz VIAVRVLXJGYSJM-OWSOAGIPSA-N 1 0 330.472 3.487 10 10 EGCERO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)C=C2CCCCC2)cc1C ZINC001497794815 1396852688 /nfs/dbraw/zinc/85/26/88/1396852688.db2.gz NAXWDYNRRIQEKT-MRXNPFEDSA-N 1 0 330.472 3.488 10 10 EGCERO COc1ccc(C[NH2+][C@H]2C[C@@H](CNC(=O)CCC(C)C)C2)cc1C ZINC001691687822 1405422545 /nfs/dbraw/zinc/42/25/45/1405422545.db2.gz NBXJFEQTYFEKDE-HDICACEKSA-N 1 0 332.488 3.424 10 10 EGCERO COc1ccc(C[NH2+][C@H](C)[C@H](C)NC(=O)C2CC3(CC3)C2)cc1C ZINC001700417594 1413964336 /nfs/dbraw/zinc/96/43/36/1413964336.db2.gz IBPAMGZVXCBSKY-CABCVRRESA-N 1 0 330.472 3.177 10 10 EGCERO COc1ccc(C[NH2+]CC[C@@H](C)NC(=O)/C=C/c2ccc[nH]2)cc1C ZINC001732689292 1428910648 /nfs/dbraw/zinc/91/06/48/1428910648.db2.gz PKHWOUURQAPOQL-MNDMWVCDSA-N 1 0 341.455 3.030 10 10 EGCERO CC/C(C)=C/C(=O)N1CC[C@H](C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001713341586 1417964392 /nfs/dbraw/zinc/96/43/92/1417964392.db2.gz KURADTSCMGMBFY-SPQRHKFCSA-N 1 0 330.472 3.298 10 10 EGCERO COc1ccc(C[NH2+]CC[C@H]2CCCCN2C(=O)C2CC2)cc1C ZINC001715419790 1420112701 /nfs/dbraw/zinc/11/27/01/1420112701.db2.gz GEEXHOSSGQSTSA-GOSISDBHSA-N 1 0 330.472 3.274 10 10 EGCERO COc1ccc(C[NH2+][C@@H](CNC(=O)CC2(C)CC2)C(C)C)cc1C ZINC001715619573 1420267594 /nfs/dbraw/zinc/26/75/94/1420267594.db2.gz BJSXOBKPUVAVLI-KRWDZBQOSA-N 1 0 332.488 3.424 10 10 EGCERO COc1ccc(C[NH2+]C2(CNC(=O)[C@H](C)c3ccco3)CC2)cc1C ZINC001733255037 1429404929 /nfs/dbraw/zinc/40/49/29/1429404929.db2.gz CBGZWEDKJJYXSY-OAHLLOKOSA-N 1 0 342.439 3.139 10 10 EGCERO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)[C@H]2CC[C@H](C)CC2)cc1C ZINC001715960742 1420427247 /nfs/dbraw/zinc/42/72/47/1420427247.db2.gz XZKHGPYJYCWJJI-QGPMSJSTSA-N 1 0 332.488 3.424 10 10 EGCERO COc1ccc(C[NH2+]CC[C@H](C)NC(=O)Cc2ccc(C)o2)cc1C ZINC001716132166 1420536769 /nfs/dbraw/zinc/53/67/69/1420536769.db2.gz DKBWPFDXWXZLSZ-HNNXBMFYSA-N 1 0 344.455 3.132 10 10 EGCERO CC[C@@H](C)[C@@H](C)C(=O)NCC1([NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC001716697362 1420850131 /nfs/dbraw/zinc/85/01/31/1420850131.db2.gz PUGQDHJNYYJMFR-GDBMZVCRSA-N 1 0 332.488 3.424 10 10 EGCERO COc1ccc(C[NH2+]C2(CNC(=O)[C@@H]3CC=CCC3)CCC2)cc1C ZINC001717147039 1421139188 /nfs/dbraw/zinc/13/91/88/1421139188.db2.gz DHFMRAFENWXLOJ-GOSISDBHSA-N 1 0 342.483 3.488 10 10 EGCERO COc1ccc(C[NH2+]CCC[C@H](C)NC(=O)c2ccccn2)cc1C ZINC001717654759 1421552944 /nfs/dbraw/zinc/55/29/44/1421552944.db2.gz DTMQBJRJKOIBQZ-INIZCTEOSA-N 1 0 341.455 3.087 10 10 EGCERO COc1ccc(C[NH2+]CCCN(C)C(=O)[C@H]2CC23CCC3)cc1C ZINC001723139522 1424306135 /nfs/dbraw/zinc/30/61/35/1424306135.db2.gz KPKVVUXLTWHULY-QGZVFWFLSA-N 1 0 330.472 3.132 10 10 EGCERO CC/C(C)=C/C(=O)N1C[C@H](C)[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001724933666 1425319578 /nfs/dbraw/zinc/31/95/78/1425319578.db2.gz JKQXJWBTIRNVME-JDZUMMNHSA-N 1 0 330.472 3.296 10 10 EGCERO COc1ccc(C[NH2+][C@H](C)[C@H](C)NC(=O)c2cccnc2C)cc1C ZINC001725106967 1425557996 /nfs/dbraw/zinc/55/79/96/1425557996.db2.gz BGYQCDZGTQJSMG-CABCVRRESA-N 1 0 341.455 3.004 10 10 EGCERO COc1ccc(C[NH2+][C@@H](C)[C@H](C)NC(=O)c2scnc2C)cc1C ZINC001733962294 1437767544 /nfs/dbraw/zinc/76/75/44/1437767544.db2.gz JFTODLXVWGGRQN-STQMWFEESA-N 1 0 347.484 3.065 10 10 EGCERO COc1ccc(C[NH2+]C[C@H](NC(=O)[C@H]2CC23CC3)C(C)(C)C)cc1C ZINC001734569500 1438163954 /nfs/dbraw/zinc/16/39/54/1438163954.db2.gz NDBZAUOHXUWYEQ-AEFFLSMTSA-N 1 0 344.499 3.424 10 10 EGCERO Oc1cc2c(cc1C[NH+]1CCN(c3ccc(F)cc3)CC1)CCC2 ZINC000003345345 452759767 /nfs/dbraw/zinc/75/97/67/452759767.db2.gz RCBTWVBDRPLFNR-UHFFFAOYSA-N 1 0 326.415 3.342 10 10 EGCERO C[C@H](Nc1ccc(OC2CC[NH+](C)CC2)nc1)c1ccccc1O ZINC000183669167 455318368 /nfs/dbraw/zinc/31/83/68/455318368.db2.gz XZDRLONGTADGJN-AWEZNQCLSA-N 1 0 327.428 3.433 10 10 EGCERO CCOCc1cc(C[NH2+]C[C@H]2CCCn3ccnc32)ccc1OC ZINC000084802763 454011233 /nfs/dbraw/zinc/01/12/33/454011233.db2.gz GVKXNSQXWJOQEJ-MRXNPFEDSA-N 1 0 329.444 3.095 10 10 EGCERO Cc1cc(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)cc(C)c1O ZINC000069751569 454140961 /nfs/dbraw/zinc/14/09/61/454140961.db2.gz SYAGSPQAPLCUFP-UHFFFAOYSA-N 1 0 344.430 3.275 10 10 EGCERO Cc1ccc(C[NH2+]Cc2ccc3c(c2)CCO3)c(O[C@H]2CCOC2)c1 ZINC000089623630 454168594 /nfs/dbraw/zinc/16/85/94/454168594.db2.gz VNQLIHCASJXJNK-IBGZPJMESA-N 1 0 339.435 3.387 10 10 EGCERO Cc1nn(C)c(N(C)C)c1C[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000058415087 454200281 /nfs/dbraw/zinc/20/02/81/454200281.db2.gz UGSWVUBKWONTQP-UHFFFAOYSA-N 1 0 341.503 3.075 10 10 EGCERO CCc1ccc([C@@H](O)C[NH+]2CCN(c3ccc(OC)cc3)CC2)cc1 ZINC000065255257 454544071 /nfs/dbraw/zinc/54/40/71/454544071.db2.gz VWBGUZQFFJYOGI-NRFANRHFSA-N 1 0 340.467 3.113 10 10 EGCERO CCN(CC)c1ccc(C[N@@H+]2CCCN(c3cccnn3)CC2)cc1 ZINC000093151000 454689125 /nfs/dbraw/zinc/68/91/25/454689125.db2.gz MVPLPVSPEGIFCO-UHFFFAOYSA-N 1 0 339.487 3.035 10 10 EGCERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000176978181 454806718 /nfs/dbraw/zinc/80/67/18/454806718.db2.gz CZVQYFROUOZJGG-QGZVFWFLSA-N 1 0 340.471 3.045 10 10 EGCERO C[C@H]1CN(C2CC[NH+](Cc3c(O)ccc4ccccc43)CC2)CCO1 ZINC000151996523 455059027 /nfs/dbraw/zinc/05/90/27/455059027.db2.gz TXGWMHGWAURPMY-INIZCTEOSA-N 1 0 340.467 3.231 10 10 EGCERO CCCC[N@H+](Cc1cc(Cl)cc(C)c1O)[C@H]1CCS(=O)(=O)C1 ZINC000179568037 455059076 /nfs/dbraw/zinc/05/90/76/455059076.db2.gz RHRLQYRARUEPRS-HNNXBMFYSA-N 1 0 345.892 3.143 10 10 EGCERO C[C@H]([NH2+][C@H]1CCC(=O)N(C)C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000152359078 455107145 /nfs/dbraw/zinc/10/71/45/455107145.db2.gz ZPRVVZKTVBEJQX-HOCLYGCPSA-N 1 0 333.451 3.087 10 10 EGCERO CCCn1cc(CN2CCC[N@H+](Cc3cccc(C)c3O)CC2)cn1 ZINC000180112471 455133729 /nfs/dbraw/zinc/13/37/29/455133729.db2.gz JPTVLMINJIRUCS-UHFFFAOYSA-N 1 0 342.487 3.015 10 10 EGCERO COCCCOC1CC[NH+](Cc2cc(Cl)cc(C)c2O)CC1 ZINC000180354484 455160635 /nfs/dbraw/zinc/16/06/35/455160635.db2.gz JLIGIFAFZDGGKV-UHFFFAOYSA-N 1 0 327.852 3.372 10 10 EGCERO C[C@@H]([NH2+]CCCN1CCCC1=O)c1ccc(N2CCCCC2)cc1 ZINC000159563363 455384862 /nfs/dbraw/zinc/38/48/62/455384862.db2.gz XYWJPEOHTHPVSG-QGZVFWFLSA-N 1 0 329.488 3.340 10 10 EGCERO COc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCN(c3ncccc3Cl)C2)c1 ZINC000185718560 455604567 /nfs/dbraw/zinc/60/45/67/455604567.db2.gz CLQVMGMRXQLNRW-OLZOCXBDSA-N 1 0 347.846 3.379 10 10 EGCERO Cc1cc(N2CCC[C@@H]([NH2+][C@@H](C)c3ccc(N(C)C)cc3)C2)n(C)n1 ZINC000278165187 455776172 /nfs/dbraw/zinc/77/61/72/455776172.db2.gz ASEFNVPZWLZYOT-FUHWJXTLSA-N 1 0 341.503 3.114 10 10 EGCERO CCOc1ccc(O)c(C[NH2+]Cc2cccc(C(F)(F)F)n2)c1 ZINC000294746210 455826034 /nfs/dbraw/zinc/82/60/34/455826034.db2.gz HRNRPIJNXILSBW-UHFFFAOYSA-N 1 0 326.318 3.495 10 10 EGCERO CC[C@@H]([NH2+][C@H]1CCCN(c2cc(C)nn2C)C1)c1ccccc1O ZINC000278416066 455835331 /nfs/dbraw/zinc/83/53/31/455835331.db2.gz IEADKOFDYDMSJA-DOTOQJQBSA-N 1 0 328.460 3.144 10 10 EGCERO C[C@@H]([NH2+]C[C@@H]1CCc2nccn2C1)c1cc2c(cc1O)CCCC2 ZINC000278899948 455852894 /nfs/dbraw/zinc/85/28/94/455852894.db2.gz FRMUXUGUSITSIU-CABCVRRESA-N 1 0 325.456 3.381 10 10 EGCERO CC[C@@H]([NH2+][C@@H]1CCCN(c2ncccn2)C1)c1ccc(C)cc1O ZINC000280093927 455890164 /nfs/dbraw/zinc/89/01/64/455890164.db2.gz MQWJQTBYENCXSZ-NVXWUHKLSA-N 1 0 326.444 3.200 10 10 EGCERO Cc1ccc([C@H](C)[NH2+][C@H](Cc2ccccc2)C(=O)N(C)C)c(O)c1C ZINC000273582584 456238522 /nfs/dbraw/zinc/23/85/22/456238522.db2.gz NBNCADDSRVBGPY-QFBILLFUSA-N 1 0 340.467 3.359 10 10 EGCERO CC1CCN(c2ccc(C[NH2+]Cc3cn4cccnc4n3)cc2)CC1 ZINC000298447568 456459169 /nfs/dbraw/zinc/45/91/69/456459169.db2.gz NTSLBEDKLJWUKX-UHFFFAOYSA-N 1 0 335.455 3.255 10 10 EGCERO CCO[C@@H]1C[C@H](O)C12CC[NH+](Cc1cc(Cl)cc(C)c1O)CC2 ZINC000305756587 456555810 /nfs/dbraw/zinc/55/58/10/456555810.db2.gz AKHWFYVEQHAQNA-JKSUJKDBSA-N 1 0 339.863 3.106 10 10 EGCERO CCN(C)c1ccc([C@H](C)[NH2+]C[C@@H]2CCC3(CCOCC3)[C@@H]2O)cc1 ZINC000282978854 456680366 /nfs/dbraw/zinc/68/03/66/456680366.db2.gz DPZFOCNXXNAADO-XKGZKEIXSA-N 1 0 346.515 3.361 10 10 EGCERO CC[C@H]([NH2+]C[C@@H]1CCC2(CCOCC2)[C@H]1O)c1ccc(C)cc1O ZINC000283515705 456794932 /nfs/dbraw/zinc/79/49/32/456794932.db2.gz ZXPRANCVDSPETN-IEZWGBDMSA-N 1 0 333.472 3.309 10 10 EGCERO Cc1cccc(C[NH+]2CCC3(C[C@@H]3C(=O)N3CCCCC3)CC2)c1O ZINC000364720328 457679769 /nfs/dbraw/zinc/67/97/69/457679769.db2.gz CRXHRQJYALLJJH-GOSISDBHSA-N 1 0 342.483 3.315 10 10 EGCERO COc1cc(O)c(C[NH2+]C[C@H]2CC[C@H](c3ccccc3)O2)cc1OC ZINC000367686168 457970343 /nfs/dbraw/zinc/97/03/43/457970343.db2.gz LNFRVPOGLQNBMS-SJLPKXTDSA-N 1 0 343.423 3.419 10 10 EGCERO CC[C@@H]1C[N@H+](Cc2ccc(N3CCCCC3)cc2)C[C@]2(CCOC2)O1 ZINC000376020183 458165543 /nfs/dbraw/zinc/16/55/43/458165543.db2.gz DYLHYARPKGOPLF-RTWAWAEBSA-N 1 0 344.499 3.447 10 10 EGCERO CC1(C)C[N@H+](Cc2ccc(N3CCCCC3)cc2)C[C@]2(CCOC2)O1 ZINC000376021819 458165987 /nfs/dbraw/zinc/16/59/87/458165987.db2.gz PVBMTBDLDUUFKW-NRFANRHFSA-N 1 0 344.499 3.447 10 10 EGCERO Oc1ccc(Br)cc1C[NH2+]C[C@H]1CCN1C1CCCC1 ZINC000527804823 459741409 /nfs/dbraw/zinc/74/14/09/459741409.db2.gz BTTPRHLZUSCDIQ-OAHLLOKOSA-N 1 0 339.277 3.261 10 10 EGCERO COc1ccc(O)c([C@@H](C)[NH2+]C[C@]2(C)COc3ccccc3O2)c1 ZINC000527926910 459773467 /nfs/dbraw/zinc/77/34/67/459773467.db2.gz ADFSXPDARWQCSS-BFUOFWGJSA-N 1 0 329.396 3.282 10 10 EGCERO CCO[C@H]1CCCN(c2ccc([C@@H](C)[NH3+])cc2Br)C1 ZINC000061697342 535621654 /nfs/dbraw/zinc/62/16/54/535621654.db2.gz XZHNAQRRWOHNGE-YPMHNXCESA-N 1 0 327.266 3.474 10 10 EGCERO CCOc1ccc(O)c(C[NH2+]C(C)(C)C(=O)Nc2ccccc2)c1 ZINC000731041578 575046038 /nfs/dbraw/zinc/04/60/38/575046038.db2.gz HVAHPVBUDVNCIQ-UHFFFAOYSA-N 1 0 328.412 3.298 10 10 EGCERO Cc1cc(CCNC(=O)[C@@H](C(C)C)[NH+](C)C)c(C)n1-c1ccccc1 ZINC000732053786 575234311 /nfs/dbraw/zinc/23/43/11/575234311.db2.gz FZJTVQJCCYCGPS-HXUWFJFHSA-N 1 0 341.499 3.339 10 10 EGCERO CN(C)c1ccc(N2CCC([NH2+]Cc3ccccc3O)CC2)cc1 ZINC000742377355 576776203 /nfs/dbraw/zinc/77/62/03/576776203.db2.gz BHVVXZHZSREUSY-UHFFFAOYSA-N 1 0 325.456 3.217 10 10 EGCERO Oc1cccc(Br)c1CN(C[C@H]1CCC[NH2+]C1)C1CC1 ZINC000706842364 1298223529 /nfs/dbraw/zinc/22/35/29/1298223529.db2.gz CEABOYDAIZCTLY-LBPRGKRZSA-N 1 0 339.277 3.119 10 10 EGCERO Cc1cc(Br)cc(C[N@H+]2C[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C2)c1O ZINC000718249343 1298308543 /nfs/dbraw/zinc/30/85/43/1298308543.db2.gz WRKONYGEDLPEJM-PYHGIMPFSA-N 1 0 338.245 3.072 10 10 EGCERO CCOCCCC[NH2+]Cc1c2cc(F)ccc2n(C)c1C(=O)OC ZINC000894194230 1306270620 /nfs/dbraw/zinc/27/06/20/1306270620.db2.gz OLKROBXWXQDUGI-UHFFFAOYSA-N 1 0 336.407 3.010 10 10 EGCERO OC1CCN(c2ccc(C[NH+]3CCC4(CCCCO4)CC3)cc2)CC1 ZINC000895656510 1309450414 /nfs/dbraw/zinc/45/04/14/1309450414.db2.gz QTXBDTWMVWZYAU-UHFFFAOYSA-N 1 0 344.499 3.183 10 10 EGCERO Cc1cc(Br)cc(C[N@@H+]2CC[C@@H]([C@H]3CCCO3)C2)c1O ZINC000895849459 1309559354 /nfs/dbraw/zinc/55/93/54/1309559354.db2.gz WXPJEPUHKNAZPP-IUODEOHRSA-N 1 0 340.261 3.464 10 10 EGCERO Cc1ccc(O[C@@H]2CC[N@@H+](Cc3ccc(N(C)C)cc3C)C2)nc1 ZINC000858015091 1328659704 /nfs/dbraw/zinc/65/97/04/1328659704.db2.gz WBXWJFZMNGZIDR-LJQANCHMSA-N 1 0 325.456 3.418 10 10 EGCERO Oc1cccc(Br)c1C[NH2+][C@@H](C1CC1)C1CCOCC1 ZINC000858184535 1328705908 /nfs/dbraw/zinc/70/59/08/1328705908.db2.gz LVKCTJYFXRJSEZ-INIZCTEOSA-N 1 0 340.261 3.450 10 10 EGCERO COc1ccc(N2CC[C@H]([NH2+][C@H]3CCCc4scnc43)C2)cc1 ZINC000858431576 1328761026 /nfs/dbraw/zinc/76/10/26/1328761026.db2.gz ZCYJCEJMSBDOKS-BBRMVZONSA-N 1 0 329.469 3.398 10 10 EGCERO Cc1ccc([C@H](C)[NH2+]CC2(OCCO)CCC(F)(F)CC2)c(O)c1 ZINC000858483625 1328775532 /nfs/dbraw/zinc/77/55/32/1328775532.db2.gz URIBUXWSEFHYPD-AWEZNQCLSA-N 1 0 343.414 3.308 10 10 EGCERO Cc1ccc(N2CCC[N@H+](Cc3cc4c(cc3O)OCO4)CC2)cc1 ZINC000917484361 1319820526 /nfs/dbraw/zinc/82/05/26/1319820526.db2.gz CCWSEBKMYNFYBI-UHFFFAOYSA-N 1 0 340.423 3.142 10 10 EGCERO COc1ccc(N2CC[C@H]([NH2+][C@@H]3CC[C@H]4COCC[C@@H]4C3)C2)cc1 ZINC000922238298 1322485208 /nfs/dbraw/zinc/48/52/08/1322485208.db2.gz SBWBDEAVTVCCSE-XDNAFOTISA-N 1 0 330.472 3.069 10 10 EGCERO C[C@@H](NC(=O)NCc1c(O)cccc1F)[C@@H](c1ccccc1)[NH+](C)C ZINC000922414587 1322524479 /nfs/dbraw/zinc/52/44/79/1322524479.db2.gz OTTDZOFAHUSNHD-ACJLOTCBSA-N 1 0 345.418 3.022 10 10 EGCERO CN(C)c1ccc(/C=C/C[NH2+]Cc2cc(C(F)(F)F)nn2C)cc1 ZINC000922712476 1322600088 /nfs/dbraw/zinc/60/00/88/1322600088.db2.gz AQINHNVGTCDKKJ-SNAWJCMRSA-N 1 0 338.377 3.308 10 10 EGCERO CN(Cc1cccs1)c1ccc(C[NH2+]CC[C@@H]2CNC(=O)C2)cc1 ZINC000922777745 1322615198 /nfs/dbraw/zinc/61/51/98/1322615198.db2.gz AFMVKADCDSXXCQ-INIZCTEOSA-N 1 0 343.496 3.000 10 10 EGCERO COc1ccc(N2CC[C@H]([NH2+][C@H](C3CC3)[C@@H]3CCCOC3)C2)cc1 ZINC000926679127 1327663195 /nfs/dbraw/zinc/66/31/95/1327663195.db2.gz AZDYKZMDVSXBQX-FUHIMQAGSA-N 1 0 330.472 3.069 10 10 EGCERO Cc1cc(Cl)cc([C@@H](C)[NH2+]CC(C)(C)CS(C)(=O)=O)c1O ZINC000926954954 1327795005 /nfs/dbraw/zinc/79/50/05/1327795005.db2.gz JGNIWNWOIIXGOB-LLVKDONJSA-N 1 0 333.881 3.075 10 10 EGCERO C[C@@H]([NH2+]C[C@@H]1C[C@@H]2COC[C@@H]2O1)c1ccc(N2CCCCC2)c(F)c1 ZINC000926945256 1327789440 /nfs/dbraw/zinc/78/94/40/1327789440.db2.gz NCFJPDHVKXEASK-PYQAKABTSA-N 1 0 348.462 3.271 10 10 EGCERO CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](C[NH2+][C@H]3CCc4cccc(O)c43)[C@@H]2C1 ZINC000926986195 1327808663 /nfs/dbraw/zinc/80/86/63/1327808663.db2.gz HMOKYKVSVYWNCV-JONQDZQNSA-N 1 0 344.455 3.082 10 10 EGCERO C[C@@H]([NH2+]C[C@@H]1CCC2(CCOCC2)O1)c1ccc(Cl)cc1O ZINC000927012740 1327820428 /nfs/dbraw/zinc/82/04/28/1327820428.db2.gz BETGIUKAHXHPSB-OCCSQVGLSA-N 1 0 325.836 3.424 10 10 EGCERO C[C@H]([NH2+][C@@H]1CCc2nnn(C)c2C1)c1ccc(N2CCCCC2)cc1 ZINC000927144232 1327890022 /nfs/dbraw/zinc/89/00/22/1327890022.db2.gz DLOSOAAKXVMUHF-DOTOQJQBSA-N 1 0 339.487 3.014 10 10 EGCERO C[N@H+](CCC(=O)NCc1ccc2cccnc2c1O)C1CCCCC1 ZINC000862026992 1329455820 /nfs/dbraw/zinc/45/58/20/1329455820.db2.gz GKVJXYSCHVFEPK-UHFFFAOYSA-N 1 0 341.455 3.211 10 10 EGCERO C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)C1CC(F)(F)C1 ZINC000862271836 1329472946 /nfs/dbraw/zinc/47/29/46/1329472946.db2.gz DOHNMMSSMKNJIN-GFCCVEGCSA-N 1 0 328.378 3.186 10 10 EGCERO C[C@@H]([NH2+]Cc1ccc(N2CCC(CO)CC2)cc1)C1CC(F)(F)C1 ZINC000862275496 1329473295 /nfs/dbraw/zinc/47/32/95/1329473295.db2.gz WAKLQGIZQRJRGA-CQSZACIVSA-N 1 0 338.442 3.419 10 10 EGCERO Oc1cccc(Br)c1C[N@@H+]1CCC[C@H](OC(F)F)C1 ZINC000862309509 1329475242 /nfs/dbraw/zinc/47/52/42/1329475242.db2.gz RIJNXLQZOONXIH-VIFPVBQESA-N 1 0 336.176 3.358 10 10 EGCERO COc1cccc([C@@H](O)C2CC[NH+](Cc3ccccc3O)CC2)c1 ZINC000862544761 1329495202 /nfs/dbraw/zinc/49/52/02/1329495202.db2.gz UWXPICJOTBJYDC-FQEVSTJZSA-N 1 0 327.424 3.346 10 10 EGCERO Cc1cc(Br)cc([C@H](C)N[C@@H]2CC[C@@H](C)[NH2+]C2)c1O ZINC000863546613 1329562501 /nfs/dbraw/zinc/56/25/01/1329562501.db2.gz LQPKQFXOYMGJKJ-NTZNESFSSA-N 1 0 327.266 3.254 10 10 EGCERO CN(C)c1ccc(C[NH2+]CCc2cn(C)c3ncccc23)cc1F ZINC000865812270 1329741496 /nfs/dbraw/zinc/74/14/96/1329741496.db2.gz MCGGGBRKTGGFIM-UHFFFAOYSA-N 1 0 326.419 3.111 10 10 EGCERO C[C@@H]([NH2+]C1CN(c2ccncn2)C1)c1ccc(N2CCCCC2)cc1 ZINC000866494821 1330118257 /nfs/dbraw/zinc/11/82/57/1330118257.db2.gz SZJICPKJMINQMA-MRXNPFEDSA-N 1 0 337.471 3.006 10 10 EGCERO CCOC(=O)c1cc(C[NH2+][C@H](CC)c2ccc(N(C)C)cc2)on1 ZINC000866514695 1330120500 /nfs/dbraw/zinc/12/05/00/1330120500.db2.gz PTNBPAMZNBIRTI-MRXNPFEDSA-N 1 0 331.416 3.158 10 10 EGCERO COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C2CCC(C)([NH+](C)C)CC2)c1 ZINC000866516843 1330120948 /nfs/dbraw/zinc/12/09/48/1330120948.db2.gz DBJKIBPCTNTKPO-XIWWETDGSA-N 1 0 334.460 3.092 10 10 EGCERO C[C@H](NC(=O)NCCC[N@H+](C)Cc1ccccc1)c1ccccc1O ZINC000868006095 1330239618 /nfs/dbraw/zinc/23/96/18/1330239618.db2.gz GNRIVRVABBADES-INIZCTEOSA-N 1 0 341.455 3.275 10 10 EGCERO C[C@@H](NC(=O)NC[C@@H]1CC[N@@H+]1C1CCCCC1)c1ccccc1O ZINC000868803635 1330347923 /nfs/dbraw/zinc/34/79/23/1330347923.db2.gz QICDEVMHEOEAKC-ZBFHGGJFSA-N 1 0 331.460 3.159 10 10 EGCERO CC[C@H](C)C(=O)N1CC[C@](C)(C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001324692684 1387739580 /nfs/dbraw/zinc/73/95/80/1387739580.db2.gz GBXDYMNCJLCDNF-MGPUTAFESA-N 1 0 332.488 3.378 10 10 EGCERO CC(C)[N@H+](CC(=O)NCc1ccc(N(C)C)cc1)C1CCCCC1 ZINC001191870727 1367622130 /nfs/dbraw/zinc/62/21/30/1367622130.db2.gz JTJNDIANXQWCFA-UHFFFAOYSA-N 1 0 331.504 3.412 10 10 EGCERO Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2[NH2+]CC1(C2(O)CCOCC2)CC1 ZINC001119607163 1371373615 /nfs/dbraw/zinc/37/36/15/1371373615.db2.gz YAOPJOCTNRPTJP-GJZGRUSLSA-N 1 0 331.456 3.160 10 10 EGCERO C[NH+]1CCN(c2ccc(CNC(=O)[C@H]3CCC=CCCC3)cc2)CC1 ZINC001132903106 1375635913 /nfs/dbraw/zinc/63/59/13/1375635913.db2.gz SMXCKSNLGODESA-IBGZPJMESA-N 1 0 341.499 3.191 10 10 EGCERO CCC1(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)CCCC1 ZINC001134883210 1376766194 /nfs/dbraw/zinc/76/61/94/1376766194.db2.gz ZFWMISOOIQCILY-SFHVURJKSA-N 1 0 331.504 3.442 10 10 EGCERO CC[C@@H]1CCC[C@]1(C)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001288334089 1381782379 /nfs/dbraw/zinc/78/23/79/1381782379.db2.gz BTWSDSVFSMPJAH-NQIIRXRSSA-N 1 0 343.515 3.271 10 10 EGCERO COc1ccc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@@]3(C)C=CCC3)C2)cc1C ZINC001316621611 1384487194 /nfs/dbraw/zinc/48/71/94/1384487194.db2.gz RALNSTBQLYPHFT-UEXGIBASSA-N 1 0 342.483 3.344 10 10 EGCERO COc1ccc(C[NH2+][C@@H](C)CCNC(=O)[C@]2(C)C=CCC2)cc1C ZINC001317403314 1385117162 /nfs/dbraw/zinc/11/71/62/1385117162.db2.gz WGJREHXNSALUCO-OXJNMPFZSA-N 1 0 330.472 3.344 10 10 EGCERO COc1ccc(C[NH2+][C@H](C)CCNC(=O)[C@@]2(C)C=CCC2)cc1C ZINC001317403316 1385117201 /nfs/dbraw/zinc/11/72/01/1385117201.db2.gz WGJREHXNSALUCO-UZLBHIALSA-N 1 0 330.472 3.344 10 10 EGCERO COc1ccc(C[NH2+][C@H](C)CCNC(=O)c2cc(C)co2)cc1C ZINC001317404062 1385117497 /nfs/dbraw/zinc/11/74/97/1385117497.db2.gz KWOAVSFPTAETIW-OAHLLOKOSA-N 1 0 330.428 3.203 10 10 EGCERO COc1ccc(C[NH2+][C@@H](C)CCNC(=O)c2cc(C)[nH]c2C)cc1C ZINC001317407578 1385119499 /nfs/dbraw/zinc/11/94/99/1385119499.db2.gz DQLRCATYJJPLGV-AWEZNQCLSA-N 1 0 343.471 3.247 10 10 EGCERO CC(C)C[N@H+](CCCNC(=O)c1ccc(N=NC(N)=O)cc1)C(C)C ZINC001317711538 1385412983 /nfs/dbraw/zinc/41/29/83/1385412983.db2.gz QZFHYAXZNMHEGZ-UHFFFAOYSA-N 1 0 347.463 3.335 10 10 EGCERO COc1ccc(C[NH2+]C[C@@](C)(NC(=O)C2=CCCC2)C2CC2)cc1C ZINC001698641172 1406289472 /nfs/dbraw/zinc/28/94/72/1406289472.db2.gz BYDSPGLBBVUWRY-OAQYLSRUSA-N 1 0 342.483 3.488 10 10 EGCERO COc1ccc(C[NH2+]C[C@H](C2CC2)N(C)C(=O)CC2CC2)cc1C ZINC001331238912 1389663947 /nfs/dbraw/zinc/66/39/47/1389663947.db2.gz BOEUBXZXOMRLPT-GOSISDBHSA-N 1 0 330.472 3.130 10 10 EGCERO COc1ccc(C[NH2+]C[C@@H](C2CC2)N(C)C(=O)CC2CC2)cc1C ZINC001331238913 1389664142 /nfs/dbraw/zinc/66/41/42/1389664142.db2.gz BOEUBXZXOMRLPT-SFHVURJKSA-N 1 0 330.472 3.130 10 10 EGCERO COc1ccc(C[NH2+]C[C@H](C)CNC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)cc1C ZINC001698746947 1406398145 /nfs/dbraw/zinc/39/81/45/1406398145.db2.gz RVAXBLHUCGMNNA-FEUVXWNVSA-N 1 0 344.499 3.282 10 10 EGCERO COc1ccc(C[NH2+]C[C@@H](NC(=O)c2cc[nH]c2)C(C)(C)C)cc1C ZINC001332808032 1390192012 /nfs/dbraw/zinc/19/20/12/1390192012.db2.gz LQGDCYJFUKZYLJ-GOSISDBHSA-N 1 0 343.471 3.266 10 10 EGCERO COc1ccc(C[NH2+]CCN(C)C(=O)C[C@H]2C=CCCC2)cc1C ZINC001481244198 1393152749 /nfs/dbraw/zinc/15/27/49/1393152749.db2.gz GVYMBKLJJOVYCI-KRWDZBQOSA-N 1 0 330.472 3.298 10 10 EGCERO COc1ccc(C[NH2+]CC(C)(C)CN(C)C(=O)[C@H]2C[C@H]2C)cc1C ZINC001485244752 1395736767 /nfs/dbraw/zinc/73/67/67/1395736767.db2.gz GBZZCSDSMOAQSD-PBHICJAKSA-N 1 0 332.488 3.234 10 10 EGCERO COc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)C[C@@H](C)SC)cc1C ZINC001496042917 1396590493 /nfs/dbraw/zinc/59/04/93/1396590493.db2.gz LXYFQUCELJYYKP-HUUCEWRRSA-N 1 0 338.517 3.082 10 10 EGCERO COc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)C[C@H](C)SC)cc1C ZINC001496042895 1396590698 /nfs/dbraw/zinc/59/06/98/1396590698.db2.gz LXYFQUCELJYYKP-CABCVRRESA-N 1 0 338.517 3.082 10 10 EGCERO COc1ccc(C[NH2+][C@@H](CNC(=O)c2ccc(C)o2)C2CC2)cc1C ZINC001690141870 1404340373 /nfs/dbraw/zinc/34/03/73/1404340373.db2.gz BHLOVILZIRFGFE-KRWDZBQOSA-N 1 0 342.439 3.203 10 10 EGCERO COc1ccc(C[NH2+][C@@H](CNC(=O)c2ccccc2)C2CC2)cc1C ZINC001690141591 1404340542 /nfs/dbraw/zinc/34/05/42/1404340542.db2.gz YFEIEFNQKVJVCO-IBGZPJMESA-N 1 0 338.451 3.302 10 10 EGCERO COc1ccc(C[NH2+]C[C@H](C)CNC(=O)C(C)=C2CCC2)cc1C ZINC001732339670 1428540833 /nfs/dbraw/zinc/54/08/33/1428540833.db2.gz BCSKZBUZHKRZKB-AWEZNQCLSA-N 1 0 330.472 3.346 10 10 EGCERO COc1ccc(C[NH2+]C[C@H](C)CNC(=O)c2ccc(C)cc2)cc1C ZINC001732369397 1428551592 /nfs/dbraw/zinc/55/15/92/1428551592.db2.gz JSMLTNSIMAYMTA-INIZCTEOSA-N 1 0 340.467 3.468 10 10 EGCERO COc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)c2c(C)coc2C)cc1C ZINC001732417787 1428573115 /nfs/dbraw/zinc/57/31/15/1428573115.db2.gz YFQJFCADDDRYFD-HNNXBMFYSA-N 1 0 344.455 3.464 10 10 EGCERO C/C=C(\C)C(=O)N1CC[C@H](CC[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001700056063 1413476306 /nfs/dbraw/zinc/47/63/06/1413476306.db2.gz ZOJBHLXCINRVEG-GYKBNXPHSA-N 1 0 330.472 3.298 10 10 EGCERO CC(C)CC[NH2+]C1CC(N(C)C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001701029775 1414692021 /nfs/dbraw/zinc/69/20/21/1414692021.db2.gz BIMWICCUFNKIEU-UHFFFAOYSA-N 1 0 345.447 3.088 10 10 EGCERO COc1ccc(C[NH2+]C[C@H](C)NC(=O)C[C@H](C)n2cccc2)cc1C ZINC001733020986 1429139852 /nfs/dbraw/zinc/13/98/52/1429139852.db2.gz WIBCHFZEXOOEMJ-IRXDYDNUSA-N 1 0 343.471 3.051 10 10 EGCERO COc1ccc(C[NH2+][C@@H](C)CNC(=O)c2sccc2C)cc1C ZINC001713292253 1417919961 /nfs/dbraw/zinc/91/99/61/1417919961.db2.gz CUWFIJPHNUWKLN-AWEZNQCLSA-N 1 0 332.469 3.282 10 10 EGCERO CCCCC[NH2+]C[C@@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001713365297 1417978516 /nfs/dbraw/zinc/97/85/16/1417978516.db2.gz GVKYKHVNGNKDBW-AWEZNQCLSA-N 1 0 345.447 3.091 10 10 EGCERO CC/C(C)=C\C(=O)N[C@@H](C[NH2+]Cc1ccc(OC)c(C)c1)C1CC1 ZINC001733170736 1429273293 /nfs/dbraw/zinc/27/32/93/1429273293.db2.gz OIDOVQLECCLVFY-BLSFAOBESA-N 1 0 330.472 3.344 10 10 EGCERO COc1ccc(C[NH2+][C@@H](CNC(=O)[C@]23C[C@H]2CCC3)C2CC2)cc1C ZINC001713871004 1418667538 /nfs/dbraw/zinc/66/75/38/1418667538.db2.gz DARWHHKDECYRSS-LVCYWYKZSA-N 1 0 342.483 3.178 10 10 EGCERO COc1ccc(C[NH2+][C@H](C)CNC(=O)[C@H]2CC[C@H](C)CC2)cc1C ZINC001714293804 1419072286 /nfs/dbraw/zinc/07/22/86/1419072286.db2.gz GIIPCTBOQKVTDS-QGPMSJSTSA-N 1 0 332.488 3.424 10 10 EGCERO COc1ccc(C[NH2+][C@@H](C)CNC(=O)C2CCC=CCC2)cc1C ZINC001714305105 1419084909 /nfs/dbraw/zinc/08/49/09/1419084909.db2.gz STMAXLNHJSNBRU-INIZCTEOSA-N 1 0 330.472 3.344 10 10 EGCERO COc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)CCc2ccco2)cc1C ZINC001714542357 1419268040 /nfs/dbraw/zinc/26/80/40/1419268040.db2.gz ZMWIFGQSKIJHCK-INIZCTEOSA-N 1 0 344.455 3.166 10 10 EGCERO CC[C@H](CNC(=O)Cc1ccc(C)o1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001715053884 1419794947 /nfs/dbraw/zinc/79/49/47/1419794947.db2.gz ATMNNPWPSWMPMR-QGZVFWFLSA-N 1 0 344.455 3.132 10 10 EGCERO COc1ccc(C[NH2+]C[C@@](C)(NC(=O)C(C)(F)F)C2CC2)cc1C ZINC001715107699 1419849652 /nfs/dbraw/zinc/84/96/52/1419849652.db2.gz VLDOGRSACZXHKO-QGZVFWFLSA-N 1 0 340.414 3.033 10 10 EGCERO COc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)[C@@]2(C)C=CCC2)cc1C ZINC001715350450 1420051320 /nfs/dbraw/zinc/05/13/20/1420051320.db2.gz CATNUIWFOYNZSU-UZLBHIALSA-N 1 0 330.472 3.296 10 10 EGCERO COc1ccc(C[NH2+]C2(CNC(=O)[C@@H]3C[C@@]3(C)C(C)C)CC2)cc1C ZINC001733257313 1429408694 /nfs/dbraw/zinc/40/86/94/1429408694.db2.gz KJBMDNYJVTUZEE-PXNSSMCTSA-N 1 0 344.499 3.424 10 10 EGCERO COc1ccc(C[NH2+]C[C@H](C)NC(=O)[C@H]2CCCC2(C)C)cc1C ZINC001715990604 1420446630 /nfs/dbraw/zinc/44/66/30/1420446630.db2.gz LUBXORDLNRBPJC-DOTOQJQBSA-N 1 0 332.488 3.424 10 10 EGCERO CC/C=C(/C)C(=O)NCC1([NH2+]Cc2ccc(OC)c(C)c2)CCC1 ZINC001724781366 1425146664 /nfs/dbraw/zinc/14/66/64/1425146664.db2.gz BXAWQOFFIJUUFD-CHHVJCJISA-N 1 0 330.472 3.488 10 10 EGCERO COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)[C@H]2CCC2(C)C)cc1C ZINC001734339041 1438060212 /nfs/dbraw/zinc/06/02/12/1438060212.db2.gz JTDIZHRWJSMVQU-NVXWUHKLSA-N 1 0 332.488 3.376 10 10 EGCERO CC(C)CC[NH2+][C@H]1C[C@@H](C)N(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001734428199 1438092883 /nfs/dbraw/zinc/09/28/83/1438092883.db2.gz KTBGCVKKUJMZPU-CJNGLKHVSA-N 1 0 345.447 3.088 10 10 EGCERO Cc1cc(C(=O)N2CCC[N@@H+]3CCC[C@H]3C2)c(C)n1-c1ccccc1 ZINC000095392650 218323582 /nfs/dbraw/zinc/32/35/82/218323582.db2.gz OEQNYSKMTROIMG-IBGZPJMESA-N 1 0 337.467 3.404 10 10 EGCERO COc1ccc(O)c(C[N@@H+]2CCC[C@H]2C[C@H](O)c2ccccc2)c1 ZINC000180667308 455222165 /nfs/dbraw/zinc/22/21/65/455222165.db2.gz IJEHCCOOSZPCJL-PXNSSMCTSA-N 1 0 327.424 3.489 10 10 EGCERO C[C@@H]([NH2+][C@@H](Cc1ccccc1)C(=O)N(C)C)c1ccc(N(C)C)cc1 ZINC000159076561 455350029 /nfs/dbraw/zinc/35/00/29/455350029.db2.gz GJTGGTKTLMHUSN-UZLBHIALSA-N 1 0 339.483 3.103 10 10 EGCERO COc1c(C[NH2+]Cc2ccc(N3CCCCC3)cc2)c(C)nn1C ZINC000058406851 454199577 /nfs/dbraw/zinc/19/95/77/454199577.db2.gz JPLVHKFBXIGJMJ-UHFFFAOYSA-N 1 0 328.460 3.017 10 10 EGCERO Fc1cccc(NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)n1 ZINC000091675835 454456112 /nfs/dbraw/zinc/45/61/12/454456112.db2.gz XPSKYBVJZBICRI-UHFFFAOYSA-N 1 0 340.446 3.365 10 10 EGCERO COc1ccc(C[NH2+]Cc2ccc(OC)c(OC)c2OC)cc1C ZINC000048747721 454512691 /nfs/dbraw/zinc/51/26/91/454512691.db2.gz KHNFSVWONGGILI-UHFFFAOYSA-N 1 0 331.412 3.319 10 10 EGCERO CCOc1ccc(O)c(C[NH+]2CCC(c3cnn(CC)c3)CC2)c1 ZINC000092809352 454635866 /nfs/dbraw/zinc/63/58/66/454635866.db2.gz CJAXPLJIAXIJPD-UHFFFAOYSA-N 1 0 329.444 3.387 10 10 EGCERO CC(=O)c1cc(Cl)cc(C[NH+]2CCC(Cn3cccn3)CC2)c1O ZINC000177139185 454827663 /nfs/dbraw/zinc/82/76/63/454827663.db2.gz DQNQJTZITLKRLC-UHFFFAOYSA-N 1 0 347.846 3.357 10 10 EGCERO CN(Cc1cccnc1)C[C@H]1CC[N@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000190490658 455331602 /nfs/dbraw/zinc/33/16/02/455331602.db2.gz VHOWHSZUMSJQHW-HXUWFJFHSA-N 1 0 338.499 3.102 10 10 EGCERO C[C@@H]([NH2+]CCCN1CCCC1=O)c1ccc(N2CCCCC2)c(F)c1 ZINC000159479939 455379493 /nfs/dbraw/zinc/37/94/93/455379493.db2.gz OBZAFAGIIHFZBK-MRXNPFEDSA-N 1 0 347.478 3.479 10 10 EGCERO COc1cc(Cl)cc(C[N@@H+]2CC[C@H](CNc3ccccn3)C2)c1O ZINC000184686894 455427977 /nfs/dbraw/zinc/42/79/77/455427977.db2.gz TUJYMLVAHAYELV-CYBMUJFWSA-N 1 0 347.846 3.383 10 10 EGCERO C[C@H]([NH2+]Cc1cccnc1-n1cncn1)c1ccc2ccccc2c1O ZINC000185025524 455487729 /nfs/dbraw/zinc/48/77/29/455487729.db2.gz OJFCDWTXDIVXEO-AWEZNQCLSA-N 1 0 345.406 3.372 10 10 EGCERO C[C@H]([NH2+]Cc1cccnc1-n1cncn1)c1cc2c(cc1O)CCCC2 ZINC000185025609 455488057 /nfs/dbraw/zinc/48/80/57/455488057.db2.gz XRHPGPQVCQSRMD-AWEZNQCLSA-N 1 0 349.438 3.098 10 10 EGCERO COc1ccc(O)c([C@@H](C)[NH2+]C2CCN(c3cccc(C)n3)CC2)c1 ZINC000185477801 455564280 /nfs/dbraw/zinc/56/42/80/455564280.db2.gz VRRJAFAGOJGFPI-OAHLLOKOSA-N 1 0 341.455 3.424 10 10 EGCERO C[C@@H]([NH2+][C@H]1CCCN(c2cccnn2)C1)c1cc(Cl)ccc1O ZINC000186050674 455684115 /nfs/dbraw/zinc/68/41/15/455684115.db2.gz DEKFMEIZWHCRRI-OCCSQVGLSA-N 1 0 332.835 3.155 10 10 EGCERO CN(C)c1ccc(C[N@@H+]2CCC[C@H](c3nncn3C3CC3)C2)cc1 ZINC000193439347 455758985 /nfs/dbraw/zinc/75/89/85/455758985.db2.gz SQFXMSPEPDFXGS-INIZCTEOSA-N 1 0 325.460 3.059 10 10 EGCERO CC[C@H]([NH2+]Cc1cnc(N2CCOCC2)c(F)c1)c1ccccc1O ZINC000186413524 455762938 /nfs/dbraw/zinc/76/29/38/455762938.db2.gz QZUDLEQYLJJMLM-KRWDZBQOSA-N 1 0 345.418 3.004 10 10 EGCERO Cc1cc(Cl)cc(C[NH2+][C@H](C2CC2)C2(CO)CCOCC2)c1O ZINC000294152734 455806780 /nfs/dbraw/zinc/80/67/80/455806780.db2.gz VMMJZYHZEOCLFR-QGZVFWFLSA-N 1 0 339.863 3.011 10 10 EGCERO Cc1cc(N2CCC[C@@H]([NH2+][C@H](C)c3c(C)cc(C)cc3O)C2)n(C)n1 ZINC000285279127 455817082 /nfs/dbraw/zinc/81/70/82/455817082.db2.gz REKGFWUWVIBCSG-IAGOWNOFSA-N 1 0 342.487 3.371 10 10 EGCERO C[C@H]([NH2+]C[C@@H]1CCc2nccn2C1)c1cc2c(cc1O)CCCC2 ZINC000278899952 455852594 /nfs/dbraw/zinc/85/25/94/455852594.db2.gz FRMUXUGUSITSIU-GJZGRUSLSA-N 1 0 325.456 3.381 10 10 EGCERO Oc1ccc(-c2ccccc2)cc1C[N@@H+]1CCO[C@@]2(CCCOC2)C1 ZINC000289575616 456131421 /nfs/dbraw/zinc/13/14/21/456131421.db2.gz SUUWQPBRPULOGY-NRFANRHFSA-N 1 0 339.435 3.441 10 10 EGCERO CCOCc1cc(C[NH2+]Cc2ccc3c[nH+]cn3c2)ccc1OC ZINC000297555667 456250387 /nfs/dbraw/zinc/25/03/87/456250387.db2.gz QBLKYBSEPAOFPO-UHFFFAOYSA-N 1 0 325.412 3.169 10 10 EGCERO COc1ccc(N2CCC(Nc3nccnc3OC(C)C)CC2)cc1 ZINC000302051530 456276534 /nfs/dbraw/zinc/27/65/34/456276534.db2.gz XPQHOORYEXMRFK-UHFFFAOYSA-N 1 0 342.443 3.353 10 10 EGCERO COc1ccc(C[NH2+][C@H]2CCN(Cc3ccc(F)cc3)C2=O)cc1C ZINC000276724490 456560974 /nfs/dbraw/zinc/56/09/74/456560974.db2.gz TXLGHLJNAIXZAL-SFHVURJKSA-N 1 0 342.414 3.033 10 10 EGCERO CCN(C)c1ccc([C@H](C)[NH2+]C[C@H]2CCC3(CCOCC3)[C@@H]2O)cc1 ZINC000282978842 456681240 /nfs/dbraw/zinc/68/12/40/456681240.db2.gz DPZFOCNXXNAADO-ILZDJORESA-N 1 0 346.515 3.361 10 10 EGCERO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NC[C@H]2C[C@@H]2C)C1 ZINC000443942262 457828024 /nfs/dbraw/zinc/82/80/24/457828024.db2.gz JUQCLOUWUXNXOE-JKSUJKDBSA-N 1 0 339.483 3.180 10 10 EGCERO Oc1ccc(Br)cc1C[N@@H+]1CC[C@@]2(C1)CCCOC2 ZINC000367438456 457954382 /nfs/dbraw/zinc/95/43/82/457954382.db2.gz NBZCOVHHXHBGNB-OAHLLOKOSA-N 1 0 326.234 3.157 10 10 EGCERO C[C@@H]([NH2+][C@H]1CCc2nc[nH]c2C1)c1ccc(Br)cc1O ZINC000368103814 458010284 /nfs/dbraw/zinc/01/02/84/458010284.db2.gz YWIDCRYXAIQGJD-KOLCDFICSA-N 1 0 336.233 3.086 10 10 EGCERO CCOc1cc(C[NH2+]Cc2ccc3c(c2)CCO3)c(F)cc1OC ZINC000527650627 459684676 /nfs/dbraw/zinc/68/46/76/459684676.db2.gz BSYWYEZEBSLRNU-UHFFFAOYSA-N 1 0 331.387 3.458 10 10 EGCERO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@@H](c3ccncn3)C2)c1O ZINC000365880531 547780554 /nfs/dbraw/zinc/78/05/54/547780554.db2.gz IMEXWFHMGLCWEK-CYBMUJFWSA-N 1 0 345.830 3.418 10 10 EGCERO C[C@@H]1C[C@H]1N1C[C@@H]([NH2+]Cc2cc(-c3ccccc3)ccc2O)CC1=O ZINC000742386741 576777712 /nfs/dbraw/zinc/77/77/12/576777712.db2.gz AKKZSLAMCVQJSF-MDASCCDHSA-N 1 0 336.435 3.158 10 10 EGCERO C[C@@H]1C[C@@H]1N1C[C@@H]([NH2+]Cc2cc(-c3ccccc3)ccc2O)CC1=O ZINC000742386740 576777753 /nfs/dbraw/zinc/77/77/53/576777753.db2.gz AKKZSLAMCVQJSF-CCKFTAQKSA-N 1 0 336.435 3.158 10 10 EGCERO Cc1cc(O)c(C[N@H+](C)CC(C)(C)S(C)(=O)=O)cc1C(C)C ZINC000161026780 1294283787 /nfs/dbraw/zinc/28/37/87/1294283787.db2.gz JAJIWSIBAVRYCH-UHFFFAOYSA-N 1 0 327.490 3.079 10 10 EGCERO C[NH+](C)CCn1cc(NCc2ccc(N3CCCCC3)cc2)cn1 ZINC000237006467 1296216384 /nfs/dbraw/zinc/21/63/84/1296216384.db2.gz XGKAYUDGCHHMHX-UHFFFAOYSA-N 1 0 327.476 3.047 10 10 EGCERO CC(=O)c1cc(Cl)cc(CN2CCC(C)([NH+]3CCC3)CC2)c1O ZINC000880473008 1301135892 /nfs/dbraw/zinc/13/58/92/1301135892.db2.gz LMUFUQDGUOSVMT-UHFFFAOYSA-N 1 0 336.863 3.308 10 10 EGCERO CCOCc1cc(C[NH2+]C[C@H](O)Cc2ccccc2F)ccc1OC ZINC000886232415 1303405958 /nfs/dbraw/zinc/40/59/58/1303405958.db2.gz WEMDAFZQCHOONL-GOSISDBHSA-N 1 0 347.430 3.064 10 10 EGCERO CCCN(CC1CN(C(=O)OC(C)(C)C)C1)c1ccc(C[NH3+])cc1 ZINC000894570266 1308960873 /nfs/dbraw/zinc/96/08/73/1308960873.db2.gz UOWWGYBJBFVPAY-UHFFFAOYSA-N 1 0 333.476 3.229 10 10 EGCERO COc1ccc(N2CC[C@H]([NH2+]Cc3cc(C)cc(OC)c3O)C2)cc1 ZINC000895227870 1309247476 /nfs/dbraw/zinc/24/74/76/1309247476.db2.gz FIYPEYXBFKORFZ-INIZCTEOSA-N 1 0 342.439 3.086 10 10 EGCERO Oc1ccc(F)cc1CNc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000895647453 1309447009 /nfs/dbraw/zinc/44/70/09/1309447009.db2.gz OBIXQXGMWMYICR-IBGZPJMESA-N 1 0 341.430 3.428 10 10 EGCERO C[C@@H](CNC(=O)c1cc2cc(O)c(O)cc2s1)C[NH+]1CCCCC1 ZINC000895803013 1309527385 /nfs/dbraw/zinc/52/73/85/1309527385.db2.gz SWXZXKQHIBISDS-LBPRGKRZSA-N 1 0 348.468 3.164 10 10 EGCERO Cc1cc(Br)cc(C[N@@H+]2CC[C@H]([C@H]3CCCO3)C2)c1O ZINC000895849461 1309558786 /nfs/dbraw/zinc/55/87/86/1309558786.db2.gz WXPJEPUHKNAZPP-SWLSCSKDSA-N 1 0 340.261 3.464 10 10 EGCERO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC000896959969 1310105980 /nfs/dbraw/zinc/10/59/80/1310105980.db2.gz RBVOUZHBYYNQAP-LBPRGKRZSA-N 1 0 348.468 3.020 10 10 EGCERO COC(=O)C1=CC[C@@H]([NH2+][C@@H](C)c2cc(Br)ccc2O)C1 ZINC000858473441 1328771225 /nfs/dbraw/zinc/77/12/25/1328771225.db2.gz OBPDLFVPNHMTAH-JOYOIKCWSA-N 1 0 340.217 3.067 10 10 EGCERO Cc1noc([C@H]2OCC[C@H]2[NH2+][C@@H](C)c2ccc3ccccc3c2O)n1 ZINC000858591881 1328803422 /nfs/dbraw/zinc/80/34/22/1328803422.db2.gz MVRDKEVOHABAAU-LSKLOWJMSA-N 1 0 339.395 3.418 10 10 EGCERO COc1ccc(O)c([C@H](C)[NH2+]C[C@@](C)(O)C(F)(F)C(F)(F)F)c1 ZINC000930217235 1328813732 /nfs/dbraw/zinc/81/37/32/1328813732.db2.gz TYGWSOFZTWKDJS-QPUJVOFHSA-N 1 0 343.292 3.000 10 10 EGCERO Cc1cc(C(=O)N[C@H]2CCC[N@@H+](C)C2)c(C)n1-c1ccc(F)cc1 ZINC000918709225 1321981603 /nfs/dbraw/zinc/98/16/03/1321981603.db2.gz YNTMWONGRPMUFH-INIZCTEOSA-N 1 0 329.419 3.057 10 10 EGCERO CC1(C)Oc2ccsc2[C@@H]([NH2+]Cc2ccc3c(c2)CCCO3)[C@@H]1O ZINC000922178349 1322472682 /nfs/dbraw/zinc/47/26/82/1322472682.db2.gz PSUPHQBKMIBJEU-AEFFLSMTSA-N 1 0 345.464 3.436 10 10 EGCERO COc1ccc(N2CC[C@H]([NH2+][C@@H]3CC[C@@H]4COCC[C@H]4C3)C2)cc1 ZINC000922238293 1322485077 /nfs/dbraw/zinc/48/50/77/1322485077.db2.gz SBWBDEAVTVCCSE-MLHJIOFPSA-N 1 0 330.472 3.069 10 10 EGCERO CN(C)c1ccc(/C=C\C[NH2+]C[C@H]2CCC3(CCOCC3)O2)cc1 ZINC000922807504 1322623610 /nfs/dbraw/zinc/62/36/10/1322623610.db2.gz BUIFDEUZHLVNMH-ZRHASKPBSA-N 1 0 330.472 3.084 10 10 EGCERO c1cc(N2CCOCC2)ccc1C[NH2+]CC[C@@H]1CCC2(CCC2)O1 ZINC000922967422 1322664955 /nfs/dbraw/zinc/66/49/55/1322664955.db2.gz IALBDCHILBGZFC-IBGZPJMESA-N 1 0 330.472 3.105 10 10 EGCERO CCOCc1cc(C[NH2+][C@H]2c3ccccc3CC[C@H]2O)ccc1OC ZINC000922987054 1322669423 /nfs/dbraw/zinc/66/94/23/1322669423.db2.gz BCUMDOBLGLSKOI-CTNGQTDRSA-N 1 0 341.451 3.370 10 10 EGCERO Fc1cc(C[NH2+][C@@H]2CCOC23CCCCC3)ccc1N1CCOCC1 ZINC000924712246 1323127592 /nfs/dbraw/zinc/12/75/92/1323127592.db2.gz XSRQOHCYWBFJAT-LJQANCHMSA-N 1 0 348.462 3.244 10 10 EGCERO CC[C@@H](C[C@@](C)(O)CC)[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000924760655 1323147881 /nfs/dbraw/zinc/14/78/81/1323147881.db2.gz REHNTQIAMZSBFV-FPOVZHCZSA-N 1 0 348.531 3.315 10 10 EGCERO C[C@H]([NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccnnc1 ZINC000925158655 1325069287 /nfs/dbraw/zinc/06/92/87/1325069287.db2.gz DCKIYGHKYCKTOF-ZFWWWQNUSA-N 1 0 348.397 3.398 10 10 EGCERO C[C@@H]1[C@@H](NC(=O)N(Cc2ccccc2O)C2CCCCC2)CC[N@@H+]1C ZINC000925326069 1325123196 /nfs/dbraw/zinc/12/31/96/1325123196.db2.gz UKZVQRXNWRYXRT-QAPCUYQASA-N 1 0 345.487 3.329 10 10 EGCERO C[C@@H]([NH2+]CCOC1CCOCC1)c1cc(Br)ccc1O ZINC000927078499 1327848186 /nfs/dbraw/zinc/84/81/86/1327848186.db2.gz HHIRGMVCRMXNED-LLVKDONJSA-N 1 0 344.249 3.001 10 10 EGCERO C[C@]1(C[NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)CCCS1 ZINC000862272013 1329473146 /nfs/dbraw/zinc/47/31/46/1329473146.db2.gz CIVDZZSOUJFJIU-GOSISDBHSA-N 1 0 338.492 3.162 10 10 EGCERO COC(=O)Cc1ccc(C[NH2+]Cc2cc(Cl)cc(OC)c2O)cc1 ZINC000862447630 1329488340 /nfs/dbraw/zinc/48/83/40/1329488340.db2.gz PCUQULVXZNHBOG-UHFFFAOYSA-N 1 0 349.814 3.060 10 10 EGCERO c1cc(N2CCOCC2)ccc1C[N@@H+]1CCC[C@H](C2CCOCC2)C1 ZINC000933089576 1329861940 /nfs/dbraw/zinc/86/19/40/1329861940.db2.gz UGMJEHDIFVBCLH-FQEVSTJZSA-N 1 0 344.499 3.162 10 10 EGCERO COc1ccc(N2CC[C@H](C[NH2+][C@@H](C3CCC3)[C@@H]3CCCO3)C2)cc1 ZINC000866377073 1330103905 /nfs/dbraw/zinc/10/39/05/1330103905.db2.gz FQJLZPATAXUTMR-CZAAIQMYSA-N 1 0 344.499 3.459 10 10 EGCERO C[C@H]([NH2+]CC[C@H]1CCSC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000866403823 1330107406 /nfs/dbraw/zinc/10/74/06/1330107406.db2.gz WQHCPQRVEZISBW-GJZGRUSLSA-N 1 0 338.492 3.456 10 10 EGCERO C[C@H]([NH2+][C@H]1[C@@H]2OC[C@@H]3C[C@H]1C[C@@H]32)c1ccc(Br)cc1O ZINC000866446397 1330113578 /nfs/dbraw/zinc/11/35/78/1330113578.db2.gz VBRIZWBDELDPMZ-XIDMARJMSA-N 1 0 338.245 3.229 10 10 EGCERO C[C@@H]1C[C@H]([NH2+]C[C@@H]2CC3(CO2)CCOCC3)c2c1c(F)ccc2O ZINC000866530755 1330122393 /nfs/dbraw/zinc/12/23/93/1330122393.db2.gz CIMXCQTVYUYICX-IPYPFGDCSA-N 1 0 335.419 3.255 10 10 EGCERO C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl)c1ccnn1C ZINC000866612768 1330133124 /nfs/dbraw/zinc/13/31/24/1330133124.db2.gz NXNAFJCAYBFCDE-UONOGXRCSA-N 1 0 348.878 3.322 10 10 EGCERO COc1ccc(O)c([C@@H](C)NC(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)c1 ZINC000868186582 1330260079 /nfs/dbraw/zinc/26/00/79/1330260079.db2.gz OVJFFKFHWSBYFN-ZTFRIQLXSA-N 1 0 341.411 3.098 10 10 EGCERO COc1ccc(C[NH2+]C[C@@H](NC(=O)CC2CCC2)C2CC2)cc1C ZINC001322977068 1387258896 /nfs/dbraw/zinc/25/88/96/1387258896.db2.gz UEZZNUMRRINDPI-GOSISDBHSA-N 1 0 330.472 3.178 10 10 EGCERO Oc1cc2c(cc1C[N@@H+](Cc1ccccc1F)CC1CC1)[C@@H](O)CO2 ZINC001118531468 1371194174 /nfs/dbraw/zinc/19/41/74/1371194174.db2.gz GWDBWBLDZRANBR-IBGZPJMESA-N 1 0 343.398 3.369 10 10 EGCERO COc1ccc(C[NH2+]C2(CNC(=O)[C@@H]3C[C@@H]3C(C)C)CCC2)cc1C ZINC001326910159 1388346463 /nfs/dbraw/zinc/34/64/63/1388346463.db2.gz DDVPAOIGBBGVAZ-QZTJIDSGSA-N 1 0 344.499 3.424 10 10 EGCERO COc1ccc(C[NH2+]C2(CNC(=O)[C@H]3C[C@@H]3C(C)C)CCC2)cc1C ZINC001326910158 1388346764 /nfs/dbraw/zinc/34/67/64/1388346764.db2.gz DDVPAOIGBBGVAZ-MSOLQXFVSA-N 1 0 344.499 3.424 10 10 EGCERO CC(C)[C@]1(C)C[C@@H]1NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001229750013 1375885063 /nfs/dbraw/zinc/88/50/63/1375885063.db2.gz BVRGBAXCJNBWGE-BJLQDIEVSA-N 1 0 346.519 3.089 10 10 EGCERO CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@H]1CC[N@@H+]1C(C)(C)C ZINC001135800921 1377214218 /nfs/dbraw/zinc/21/42/18/1377214218.db2.gz VRKVLJXDWFCPIZ-GOSISDBHSA-N 1 0 329.488 3.118 10 10 EGCERO Cc1ccc(C(=O)Nc2cccc(CC[N@@H+](C)C3CC3)c2)c(O)c1O ZINC001295754934 1382801588 /nfs/dbraw/zinc/80/15/88/1382801588.db2.gz JRKDKKCJLICJTB-UHFFFAOYSA-N 1 0 340.423 3.295 10 10 EGCERO C[C@@H](CNc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1)[NH+](C)C ZINC001306946796 1383924264 /nfs/dbraw/zinc/92/42/64/1383924264.db2.gz CDBKETRFZLGXAT-ZDUSSCGKSA-N 1 0 327.384 3.188 10 10 EGCERO COc1ccc(C[NH2+]CCCN(C)C(=O)[C@@H]2C[C@@H]2C(C)C)cc1C ZINC001322767334 1387235615 /nfs/dbraw/zinc/23/56/15/1387235615.db2.gz KCQIRSMJIJMEFI-QZTJIDSGSA-N 1 0 332.488 3.234 10 10 EGCERO COc1ccc(C[NH2+]CC(C)(C)CN(C)C(=O)[C@H]2C[C@@H]2C)cc1C ZINC001329319997 1389061127 /nfs/dbraw/zinc/06/11/27/1389061127.db2.gz GBZZCSDSMOAQSD-YOEHRIQHSA-N 1 0 332.488 3.234 10 10 EGCERO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]C[C@H]1CC2(CO1)CCOCC2 ZINC001331918029 1389910094 /nfs/dbraw/zinc/91/00/94/1389910094.db2.gz YCUCRIDAJUKYOQ-OAGGEKHMSA-N 1 0 331.456 3.424 10 10 EGCERO COc1ccc(C[NH2+][C@@H](C)CNC(=O)[C@@H](C)c2cccs2)cc1C ZINC001480535434 1392782751 /nfs/dbraw/zinc/78/27/51/1392782751.db2.gz FIVZOSAXEKZWAT-GJZGRUSLSA-N 1 0 346.496 3.463 10 10 EGCERO CC[C@@H](F)C(=O)N[C@@](C)(C[NH2+]Cc1ccc(OC)c(C)c1)C1CC1 ZINC001481937660 1394604832 /nfs/dbraw/zinc/60/48/32/1394604832.db2.gz QHJXPMNTUDMXTA-APWZRJJASA-N 1 0 336.451 3.126 10 10 EGCERO COc1ccc(C[NH2+][C@H](C)[C@H](C)NC(=O)c2ccccc2F)cc1C ZINC001485116278 1395663817 /nfs/dbraw/zinc/66/38/17/1395663817.db2.gz ORCWERIUVQMXQD-CABCVRRESA-N 1 0 344.430 3.439 10 10 EGCERO CC/C(C)=C/C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001485682627 1396103899 /nfs/dbraw/zinc/10/38/99/1396103899.db2.gz PYCPXVVRGRUVSY-ZOKZPQCBSA-N 1 0 330.472 3.344 10 10 EGCERO COc1ccc(C[NH2+][C@H](CNC(=O)c2ccc(C)o2)C2CC2)cc1C ZINC001690141871 1404340665 /nfs/dbraw/zinc/34/06/65/1404340665.db2.gz BHLOVILZIRFGFE-QGZVFWFLSA-N 1 0 342.439 3.203 10 10 EGCERO CCC[N@@H+]1CCC[C@H]1CCCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001690919648 1404830720 /nfs/dbraw/zinc/83/07/20/1404830720.db2.gz VPIBWINWPGVNHY-MRXNPFEDSA-N 1 0 345.447 3.233 10 10 EGCERO COc1ccc(C[NH2+][C@H]2C[C@H](CNC(=O)CC(C)(F)F)C2)cc1C ZINC001691810609 1405523992 /nfs/dbraw/zinc/52/39/92/1405523992.db2.gz JWAYKKWIDKZFJV-SHTZXODSSA-N 1 0 340.414 3.033 10 10 EGCERO COc1ccc(C[NH2+]CC[C@H](C)NC(=O)C2(C(F)F)CC2)cc1C ZINC001699101181 1412510222 /nfs/dbraw/zinc/51/02/22/1412510222.db2.gz VDBHFKPQBBLVMI-ZDUSSCGKSA-N 1 0 340.414 3.033 10 10 EGCERO COc1ccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)C2(C)CC=CC2)cc1C ZINC001700423288 1413975026 /nfs/dbraw/zinc/97/50/26/1413975026.db2.gz VXMNNMLMEFULTG-HZPDHXFCSA-N 1 0 330.472 3.343 10 10 EGCERO CCc1occc1C(=O)N(C)C[C@@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001700746632 1414414701 /nfs/dbraw/zinc/41/47/01/1414414701.db2.gz UFYIDZLNHDAOFV-OAHLLOKOSA-N 1 0 344.455 3.409 10 10 EGCERO COc1ccc(C[NH2+][C@@H](C)CNC(=O)[C@@H]2C[C@H]2C(C)(C)C)cc1C ZINC001713323602 1417948347 /nfs/dbraw/zinc/94/83/47/1417948347.db2.gz MUSZPAXHGXYQKJ-USXIJHARSA-N 1 0 332.488 3.280 10 10 EGCERO COc1ccc(C[NH2+]C[C@@](C)(NC(=O)C(C)(C)F)C2CC2)cc1C ZINC001714158153 1418969089 /nfs/dbraw/zinc/96/90/89/1418969089.db2.gz ZEHAESQWASFKNR-LJQANCHMSA-N 1 0 336.451 3.126 10 10 EGCERO COc1ccc(C[NH2+][C@@H](C)CNC(=O)[C@H]2CC3CCC2CC3)cc1C ZINC001714309315 1419089934 /nfs/dbraw/zinc/08/99/34/1419089934.db2.gz OHCNFPMMKQBPHU-GSHBMFQSSA-N 1 0 344.499 3.424 10 10 EGCERO CC(C)C[NH2+]C[C@H](CC(C)C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001714945273 1419688469 /nfs/dbraw/zinc/68/84/69/1419688469.db2.gz NLFMTNBPMCPBDF-INIZCTEOSA-N 1 0 347.463 3.239 10 10 EGCERO CC[C@H](CNC(=O)[C@@H]1C[C@H]1C1CC1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001715072838 1419807587 /nfs/dbraw/zinc/80/75/87/1419807587.db2.gz HBOASXIDPIGQNV-FGTMMUONSA-N 1 0 330.472 3.034 10 10 EGCERO CC[C@@H](CNC(=O)Cc1occc1C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001715078249 1419813532 /nfs/dbraw/zinc/81/35/32/1419813532.db2.gz DBZKWQDLGQWBMH-KRWDZBQOSA-N 1 0 344.455 3.132 10 10 EGCERO CCCCCC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001733233767 1429371564 /nfs/dbraw/zinc/37/15/64/1429371564.db2.gz FNHHDOYDXNOZMT-MRXNPFEDSA-N 1 0 345.447 3.233 10 10 EGCERO COc1ccc(C[NH2+]CC[C@@H](C)NC(=O)[C@H](C)n2cccc2)cc1C ZINC001715632222 1420272490 /nfs/dbraw/zinc/27/24/90/1420272490.db2.gz DZKJFRIGGXUIAW-SJORKVTESA-N 1 0 343.471 3.051 10 10 EGCERO COc1ccc(C[NH2+]C/C=C\CNC(=O)c2cc(C)[nH]c2C)cc1C ZINC001715878684 1420380635 /nfs/dbraw/zinc/38/06/35/1420380635.db2.gz NYKALRVPQOQHOO-WAYWQWQTSA-N 1 0 341.455 3.024 10 10 EGCERO COc1ccc(C[NH2+]C/C=C/CNC(=O)[C@H]2CC23CCCC3)cc1C ZINC001715889459 1420384467 /nfs/dbraw/zinc/38/44/67/1420384467.db2.gz IBUCWTGOUQZWMH-DUMMIQTOSA-N 1 0 342.483 3.346 10 10 EGCERO COc1ccc(C[NH2+]C[C@H](C)NC(=O)[C@@H]2C[C@H]2CC(C)C)cc1C ZINC001715993852 1420448517 /nfs/dbraw/zinc/44/85/17/1420448517.db2.gz CZRJBGYSOAMWRE-CGTJXYLNSA-N 1 0 332.488 3.280 10 10 EGCERO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)[C@@H](C)c2ccc(C)o2)cc1C ZINC001716415260 1420644501 /nfs/dbraw/zinc/64/45/01/1420644501.db2.gz MKFUYOWATTUMPU-ZBFHGGJFSA-N 1 0 344.455 3.303 10 10 EGCERO CCC(CC)C(=O)NC1CC(C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001717379871 1421323517 /nfs/dbraw/zinc/32/35/17/1421323517.db2.gz CWNPNAVVQHYLLC-UHFFFAOYSA-N 1 0 332.488 3.424 10 10 EGCERO COc1ccc(C[NH2+]C[C@H](NC(=O)CCCF)C(C)(C)C)cc1C ZINC001717965484 1421736960 /nfs/dbraw/zinc/73/69/60/1421736960.db2.gz PEZPKMAOMDFOSA-KRWDZBQOSA-N 1 0 338.467 3.374 10 10 EGCERO COc1ccc(C[NH2+]C2(CNC(=O)c3sccc3C)CC2)cc1C ZINC001723492336 1424441028 /nfs/dbraw/zinc/44/10/28/1424441028.db2.gz WTWOYJVODDKEQA-UHFFFAOYSA-N 1 0 344.480 3.426 10 10 EGCERO COc1ccc(C[NH2+][C@@H](C)[C@H](C)NC(=O)c2cccnc2C)cc1C ZINC001725106968 1425558399 /nfs/dbraw/zinc/55/83/99/1425558399.db2.gz BGYQCDZGTQJSMG-GJZGRUSLSA-N 1 0 341.455 3.004 10 10 EGCERO COc1ccc(C[NH2+][C@@H](CNC(=O)[C@@H](C)C2CC2)C2CC2)cc1C ZINC001731400402 1427360760 /nfs/dbraw/zinc/36/07/60/1427360760.db2.gz LMUNLNNSFIBJHI-KSSFIOAISA-N 1 0 330.472 3.034 10 10 EGCERO CCN(C)c1ccc(C[NH2+][C@@](C)(CO)Cc2ccccc2OC)cc1 ZINC001644309221 1126247268 /nfs/dbraw/zinc/24/72/68/1126247268.db2.gz YLIQRDIAJVYPQD-OAQYLSRUSA-N 1 0 342.483 3.235 10 10 EGCERO Cc1cc(C[NH2+][C@@](C)(CO)Cc2ccccc2F)ccc1N(C)C ZINC001648467162 1126250828 /nfs/dbraw/zinc/25/08/28/1126250828.db2.gz XPGDFDBBCRGFAS-HXUWFJFHSA-N 1 0 330.447 3.283 10 10 EGCERO COc1cccc([C@H](C)[NH2+]C[C@]2(C)COc3ccccc3O2)c1O ZINC000527932929 312976227 /nfs/dbraw/zinc/97/62/27/312976227.db2.gz RLRWUNKBHIBKDL-ORAYPTAESA-N 1 0 329.396 3.282 10 10 EGCERO CO[C@@H]1C[C@H](c2nc(C)no2)N(Cc2cc(Cl)cc(C)c2O)C1 ZINC000190143186 455282980 /nfs/dbraw/zinc/28/29/80/455282980.db2.gz ABCWEJTWYVZERN-ZIAGYGMSSA-N 1 0 337.807 3.007 10 10 EGCERO Oc1cc2c(cc1C[NH+]1CCN(c3ccccc3F)CC1)CCC2 ZINC000012637570 453387531 /nfs/dbraw/zinc/38/75/31/453387531.db2.gz PTLLIWWZWKZNCH-UHFFFAOYSA-N 1 0 326.415 3.342 10 10 EGCERO CCOc1cccc(C[NH2+]Cc2ccc(N3CCCC3)nc2)c1O ZINC000069892625 454155351 /nfs/dbraw/zinc/15/53/51/454155351.db2.gz KPGDINSJEGEHEM-UHFFFAOYSA-N 1 0 327.428 3.076 10 10 EGCERO Cc1cc(O)c(C[NH+]2CCC(c3nnc4ccccn43)CC2)cc1C ZINC000058296662 454182325 /nfs/dbraw/zinc/18/23/25/454182325.db2.gz OUFWBJBKESVXPI-UHFFFAOYSA-N 1 0 336.439 3.431 10 10 EGCERO Cc1ccc(O)c(C[NH+]2CCC(C(=O)N3CCCCCC3)CC2)c1 ZINC000121047033 454384227 /nfs/dbraw/zinc/38/42/27/454384227.db2.gz WHFHKEJNIOVXIO-UHFFFAOYSA-N 1 0 330.472 3.315 10 10 EGCERO CO[C@@H]1CC[C@H]2OCC[N@H+](Cc3ccc(N4CCCCC4)cc3)[C@@H]2C1 ZINC000092095483 454520300 /nfs/dbraw/zinc/52/03/00/454520300.db2.gz IWQVUTBOPSFYLT-NJDAHSKKSA-N 1 0 344.499 3.445 10 10 EGCERO Cc1ccc(O)c(C[NH+]2CCC(NC(=O)C3CCCCC3)CC2)c1 ZINC000092644814 454598112 /nfs/dbraw/zinc/59/81/12/454598112.db2.gz ZMQWBRACXHRTBW-UHFFFAOYSA-N 1 0 330.472 3.362 10 10 EGCERO CCCOc1ccc(C[N@H+](C)[C@H]2CCCc3c2cnn3C)c(O)c1 ZINC000093864200 454741762 /nfs/dbraw/zinc/74/17/62/454741762.db2.gz ZVAANSUSFGDILU-KRWDZBQOSA-N 1 0 329.444 3.424 10 10 EGCERO COc1ccc(C[N@H+](C)CCCOc2ccc(N)cc2)cc1OC ZINC000136711930 454752774 /nfs/dbraw/zinc/75/27/74/454752774.db2.gz SNQYEMSDMWTCTI-UHFFFAOYSA-N 1 0 330.428 3.187 10 10 EGCERO CC[C@H]([NH2+][C@@H]1CCCN(c2ncccn2)C1)c1ccc(N(C)C)cc1 ZINC000178192987 454942627 /nfs/dbraw/zinc/94/26/27/454942627.db2.gz NPDSPNASXPEENB-MJGOQNOKSA-N 1 0 339.487 3.252 10 10 EGCERO C[C@@H]([NH2+]CCCN1CCOC1=O)c1ccc(N2CCCCC2)cc1 ZINC000178584446 454963035 /nfs/dbraw/zinc/96/30/35/454963035.db2.gz OBRZFMQBFVMVNI-MRXNPFEDSA-N 1 0 331.460 3.170 10 10 EGCERO CC[C@H]([NH2+]CCn1cc(C)cn1)c1cc(Br)ccc1O ZINC000156422341 455117016 /nfs/dbraw/zinc/11/70/16/455117016.db2.gz JHZYJKPCYDIATI-AWEZNQCLSA-N 1 0 338.249 3.401 10 10 EGCERO COc1ccc(N2CCC[N@H+](Cc3ccc(O)c(OC)c3)CC2)cc1 ZINC000180068845 455127156 /nfs/dbraw/zinc/12/71/56/455127156.db2.gz QBXLIUQSAUYVIU-UHFFFAOYSA-N 1 0 342.439 3.122 10 10 EGCERO CC(C)c1nnc2n1C[C@@H]([NH2+][C@H](C)c1ccc(N(C)C)cc1)CC2 ZINC000180513959 455187302 /nfs/dbraw/zinc/18/73/02/455187302.db2.gz IXCMRYTUUBDXTE-ZBFHGGJFSA-N 1 0 327.476 3.133 10 10 EGCERO CO[C@@H]1CC[C@H]2OCC[N@H+](Cc3cc(Cl)cc(C)c3O)[C@@H]2C1 ZINC000245637657 455345102 /nfs/dbraw/zinc/34/51/02/455345102.db2.gz CKPAVFGZXUQWRO-BZUAXINKSA-N 1 0 325.836 3.122 10 10 EGCERO COc1cc(Cl)cc(C[N@@H+]2CCC[C@H]2Cn2ccnc2C)c1O ZINC000184700944 455431326 /nfs/dbraw/zinc/43/13/26/455431326.db2.gz CVTGDKBZTKGMLQ-HNNXBMFYSA-N 1 0 335.835 3.224 10 10 EGCERO O=C1[C@H]([NH2+]Cc2cc(Cl)ccc2O)CCN1Cc1ccc(F)cc1 ZINC000191767629 455518446 /nfs/dbraw/zinc/51/84/46/455518446.db2.gz QYDBNVKLDFZSIA-MRXNPFEDSA-N 1 0 348.805 3.075 10 10 EGCERO Cc1ccc([C@@H](C)[NH2+][C@H](Cc2ccccc2)C(=O)N(C)C)c(O)c1 ZINC000185408071 455555955 /nfs/dbraw/zinc/55/59/55/455555955.db2.gz LXBMFRMBWVNAAQ-CRAIPNDOSA-N 1 0 326.440 3.051 10 10 EGCERO Cc1cc(C)c([C@@H](C)[NH2+]Cc2cccc(CS(C)(=O)=O)c2)c(O)c1 ZINC000283900557 455609072 /nfs/dbraw/zinc/60/90/72/455609072.db2.gz CXASXCRMDGVWFH-OAHLLOKOSA-N 1 0 347.480 3.404 10 10 EGCERO COc1c(O)c(C[N@@H+]2CC[C@H](C(F)(F)F)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000294980158 455834287 /nfs/dbraw/zinc/83/42/87/455834287.db2.gz JSLPJXZKWNXJME-KOLCDFICSA-N 1 0 348.321 3.472 10 10 EGCERO Cc1cc(N2CCC[C@H]([NH2+][C@H](C)c3ccc(C)cc3O)C2)n(C)n1 ZINC000278376473 455834524 /nfs/dbraw/zinc/83/45/24/455834524.db2.gz DWLMGRWSSIAABT-CVEARBPZSA-N 1 0 328.460 3.062 10 10 EGCERO CCOc1cccc(C[NH2+][C@@H]2CCO[C@@H](c3cccnc3)C2)c1O ZINC000295125054 455839754 /nfs/dbraw/zinc/83/97/54/455839754.db2.gz XTTFWLZJWNVAAI-SJLPKXTDSA-N 1 0 328.412 3.196 10 10 EGCERO COC1CCN(c2ccc(C[N@@H+]3CC[C@@H](C)[C@@H](OC)C3)cc2)CC1 ZINC000295930632 455863336 /nfs/dbraw/zinc/86/33/36/455863336.db2.gz HEYUAETZRGWPLZ-UZLBHIALSA-N 1 0 332.488 3.159 10 10 EGCERO C[C@@H]([NH2+]C[C@H]1CCN(C(=O)OC(C)(C)C)C1)c1cc(F)ccc1O ZINC000273470325 456232961 /nfs/dbraw/zinc/23/29/61/456232961.db2.gz RXFPMQCYALHAAO-CHWSQXEVSA-N 1 0 338.423 3.439 10 10 EGCERO CCOCc1nc([C@@H](C)N[C@@H](CC)c2ccc(N(C)C)cc2)no1 ZINC000290131360 456248157 /nfs/dbraw/zinc/24/81/57/456248157.db2.gz JZGPWPOMTKSSOR-CJNGLKHVSA-N 1 0 332.448 3.474 10 10 EGCERO COC(=O)c1cnc(S[C@@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000298315371 456422330 /nfs/dbraw/zinc/42/23/30/456422330.db2.gz RCJVBAILBBGNHW-CYBMUJFWSA-N 1 0 334.466 3.296 10 10 EGCERO CC[C@H]([NH2+]C[C@H]1CCC2(CCOCC2)[C@H]1O)c1ccc(C)cc1O ZINC000283515699 456795696 /nfs/dbraw/zinc/79/56/96/456795696.db2.gz ZXPRANCVDSPETN-AYBZRNKSSA-N 1 0 333.472 3.309 10 10 EGCERO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@H]2CC23CC3)C1 ZINC000424977649 457393861 /nfs/dbraw/zinc/39/38/61/457393861.db2.gz WKYUSJITHBAUFA-IBGZPJMESA-N 1 0 337.467 3.077 10 10 EGCERO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2C[C@@H](C)[C@H]2C)C1 ZINC000357528062 457581088 /nfs/dbraw/zinc/58/10/88/457581088.db2.gz AEZLDNWVHRJLRS-HZPDHXFCSA-N 1 0 339.483 3.275 10 10 EGCERO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NC[C@@H]2C[C@@H]2C)C1 ZINC000443942257 457827965 /nfs/dbraw/zinc/82/79/65/457827965.db2.gz JUQCLOUWUXNXOE-HOTGVXAUSA-N 1 0 339.483 3.180 10 10 EGCERO C[C@@H]1CN(Cc2c([O-])ccc(Cl)c2F)C[C@]2(CCO[C@H](C)C2)O1 ZINC000366808221 457901108 /nfs/dbraw/zinc/90/11/08/457901108.db2.gz IPXYHXSOCFMIOQ-PSTGCABASA-N 1 0 343.826 3.343 10 10 EGCERO C[C@@H]([NH2+][C@@H]1CCc2nc[nH]c2C1)c1ccc(Br)cc1O ZINC000368103815 458009751 /nfs/dbraw/zinc/00/97/51/458009751.db2.gz YWIDCRYXAIQGJD-MWLCHTKSSA-N 1 0 336.233 3.086 10 10 EGCERO Cc1cc(Cl)cc(C[NH+]2CCC(C)(N3CCOCC3)CC2)c1O ZINC000529664575 459833358 /nfs/dbraw/zinc/83/33/58/459833358.db2.gz RLIUNWLSQAEZOL-UHFFFAOYSA-N 1 0 338.879 3.041 10 10 EGCERO CC(=O)Nc1cccc2c1CCCN2Cc1cccc2c1CC[NH2+]C2 ZINC000662251436 461144106 /nfs/dbraw/zinc/14/41/06/461144106.db2.gz CFWOUKZTOOKZPJ-UHFFFAOYSA-N 1 0 335.451 3.244 10 10 EGCERO CCCN(CCC)c1ccc(C[NH2+]CCN2CCO[C@H](C)C2)cc1 ZINC000729682984 574878476 /nfs/dbraw/zinc/87/84/76/574878476.db2.gz LTLUWCJQFWCEPQ-GOSISDBHSA-N 1 0 333.520 3.123 10 10 EGCERO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000730825832 575025863 /nfs/dbraw/zinc/02/58/63/575025863.db2.gz HOEBYKDPHGGPPP-IRXDYDNUSA-N 1 0 346.519 3.157 10 10 EGCERO CCOc1cccc(C[NH+]2CCN(c3ccc(OC)cc3)CC2)c1O ZINC000179943079 1294843504 /nfs/dbraw/zinc/84/35/04/1294843504.db2.gz KCXRNRPAYQEKFT-UHFFFAOYSA-N 1 0 342.439 3.122 10 10 EGCERO CCOc1ccc(O)c(C[NH2+]C[C@@H]2COC3(CCCCCC3)O2)c1 ZINC000181098268 1294936731 /nfs/dbraw/zinc/93/67/31/1294936731.db2.gz HIDCURCYPLHNBW-QGZVFWFLSA-N 1 0 335.444 3.346 10 10 EGCERO O=C(C1CC[NH+](Cc2ccccc2)CC1)N1Cc2cccc(O)c2C1 ZINC000871201704 1296270249 /nfs/dbraw/zinc/27/02/49/1296270249.db2.gz YYJDVONZANBCFI-UHFFFAOYSA-N 1 0 336.435 3.147 10 10 EGCERO Cc1cccc(C[N@@H+]2C[C@@H]3CC[C@@H](NC(=O)OC(C)(C)C)[C@@H]3C2)c1O ZINC000248577494 1296421270 /nfs/dbraw/zinc/42/12/70/1296421270.db2.gz DVCOYBJWJTTXNX-USXIJHARSA-N 1 0 346.471 3.436 10 10 EGCERO CC[C@H]([NH2+]Cc1ccc(N2CCC(CO)CC2)cc1)[C@H]1CCCOC1 ZINC000872028495 1296674057 /nfs/dbraw/zinc/67/40/57/1296674057.db2.gz RPUCHMJVGSCBTG-FPOVZHCZSA-N 1 0 346.515 3.190 10 10 EGCERO c1ccc(NC2CC([NH2+]Cc3ccc(N4CCOCC4)cc3)C2)cc1 ZINC000873190325 1297336723 /nfs/dbraw/zinc/33/67/23/1297336723.db2.gz BDRCYTMWGWDQQD-UHFFFAOYSA-N 1 0 337.467 3.256 10 10 EGCERO CCOC1CC[NH+](Cc2c3cc(F)ccc3n(C)c2C(=O)OC)CC1 ZINC000893955141 1306145681 /nfs/dbraw/zinc/14/56/81/1306145681.db2.gz UFTYWRMGHIRXEV-UHFFFAOYSA-N 1 0 348.418 3.105 10 10 EGCERO COC(=O)c1c(C[NH2+]C[C@@H]2C[C@H](C)O[C@@H]2C)c2cc(F)ccc2n1C ZINC000894992660 1309147301 /nfs/dbraw/zinc/14/73/01/1309147301.db2.gz PHBPWXTZVHIMLA-XQQFMLRXSA-N 1 0 348.418 3.007 10 10 EGCERO CCOC(=O)c1sc([C@H]2CC[N@H+](Cc3ccccc3O)C2)nc1C ZINC000895585736 1309415400 /nfs/dbraw/zinc/41/54/00/1309415400.db2.gz YZTZHJJRYJEKFB-AWEZNQCLSA-N 1 0 346.452 3.323 10 10 EGCERO CC(C)C[NH+]1CCC(NC(=O)c2cc3cc(O)c(O)cc3s2)CC1 ZINC000895597829 1309422013 /nfs/dbraw/zinc/42/20/13/1309422013.db2.gz AJHHOVHXYAHALN-UHFFFAOYSA-N 1 0 348.468 3.163 10 10 EGCERO COc1cc(Br)cc(C[N@@H+]2C[C@H](OC)CC[C@@H]2C)c1O ZINC000895945276 1309605051 /nfs/dbraw/zinc/60/50/51/1309605051.db2.gz IPLOWWUFALJCPK-GXFFZTMASA-N 1 0 344.249 3.163 10 10 EGCERO C[NH+](C)CC1(CNC(=O)c2cc3cc(O)c(O)cc3s2)CCCC1 ZINC000897390148 1310318081 /nfs/dbraw/zinc/31/80/81/1310318081.db2.gz URGUMXGOBZBACC-UHFFFAOYSA-N 1 0 348.468 3.164 10 10 EGCERO CC(C)c1ncc2c(n1)CC[N@@H+](Cc1c(O)ccc3ccncc31)C2 ZINC000857871186 1328610721 /nfs/dbraw/zinc/61/07/21/1328610721.db2.gz XHPAIBWRWYWHTF-UHFFFAOYSA-N 1 0 334.423 3.412 10 10 EGCERO C[C@H]([NH2+]Cc1cc(F)c(N(C)C)cc1F)[C@@](C)(O)c1ccccc1 ZINC000858183563 1328705826 /nfs/dbraw/zinc/70/58/26/1328705826.db2.gz ATEKMHBHUQGHBA-ORAYPTAESA-N 1 0 334.410 3.417 10 10 EGCERO Oc1cccc(Br)c1C[NH2+]C[C@@H]1Cc2ccccc2CO1 ZINC000858212219 1328712603 /nfs/dbraw/zinc/71/26/03/1328712603.db2.gz QGZNYTDWCBRRBA-AWEZNQCLSA-N 1 0 348.240 3.386 10 10 EGCERO Oc1ccc(Br)cc1C[NH2+]C[C@@H]1Cc2ccccc2CO1 ZINC000858212655 1328712758 /nfs/dbraw/zinc/71/27/58/1328712758.db2.gz ZKROENXNUYUYCY-INIZCTEOSA-N 1 0 348.240 3.386 10 10 EGCERO O=[N+]([O-])c1cc(C[NH2+][C@H]2CO[C@H](C3CC3)C2)ccc1N1CCCCC1 ZINC000858296452 1328731997 /nfs/dbraw/zinc/73/19/97/1328731997.db2.gz TVSLUPBEFUPNMX-APWZRJJASA-N 1 0 345.443 3.242 10 10 EGCERO C[C@@H](NC(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1)c1ccc(N(C)C)cc1 ZINC000858369733 1328747262 /nfs/dbraw/zinc/74/72/62/1328747262.db2.gz WVKNKKQFFLGOSS-BEFAXECRSA-N 1 0 344.503 3.130 10 10 EGCERO COC(=O)C1=CC[C@@H]([NH2+][C@H](C)c2cc(Br)ccc2O)C1 ZINC000858473439 1328771259 /nfs/dbraw/zinc/77/12/59/1328771259.db2.gz OBPDLFVPNHMTAH-BXKDBHETSA-N 1 0 340.217 3.067 10 10 EGCERO Cc1cc(C(=O)N[C@H]2CCC[N@@H+](C)C2)c(C)n1-c1ccccc1C ZINC000918709196 1321981825 /nfs/dbraw/zinc/98/18/25/1321981825.db2.gz XJHOKDXHPJWAJH-KRWDZBQOSA-N 1 0 325.456 3.227 10 10 EGCERO COC(=O)c1cc2ccccc2c(C[N@@H+]2C[C@@H](C)OC(C)(C)C2)c1O ZINC000920864419 1322228996 /nfs/dbraw/zinc/22/89/96/1322228996.db2.gz VUSBQWDPWZOXHJ-CYBMUJFWSA-N 1 0 343.423 3.331 10 10 EGCERO COc1ccc(N2CC[C@H](C[NH2+][C@@H]3CC[C@@H]4COCC[C@H]4C3)C2)cc1 ZINC000922197459 1322476906 /nfs/dbraw/zinc/47/69/06/1322476906.db2.gz UKGXTELELXTLBN-FCGDIQPGSA-N 1 0 344.499 3.316 10 10 EGCERO C[C@H]([NH2+][C@@H]1CC[C@H]2COCC[C@@H]2C1)c1ccc(N2CCOCC2)cc1 ZINC000924794785 1323165521 /nfs/dbraw/zinc/16/55/21/1323165521.db2.gz HQNGRDNKLGTSRU-OJAHFUOMSA-N 1 0 344.499 3.379 10 10 EGCERO C[C@@H]1[C@@H]([NH2+]C2CCN(c3ccc(OC(F)F)cc3)CC2)CO[C@H]1C ZINC000924908402 1323208660 /nfs/dbraw/zinc/20/86/60/1323208660.db2.gz VUXQYJAPHAAZCZ-DCGLDWPTSA-N 1 0 340.414 3.270 10 10 EGCERO Cc1cc(C(=O)CN(C)C[C@H]2C[C@@H](O)C2)c(C)n1-c1ccc(F)cc1 ZINC000859967772 1329120060 /nfs/dbraw/zinc/12/00/60/1329120060.db2.gz MTUJFFYVMZLHMO-RHNCMZPLSA-N 1 0 344.430 3.119 10 10 EGCERO C[C@H]1[C@H](NC(=O)N(Cc2ccccc2O)C2CCCCC2)CC[N@@H+]1C ZINC000925326067 1325123065 /nfs/dbraw/zinc/12/30/65/1325123065.db2.gz UKZVQRXNWRYXRT-MAUKXSAKSA-N 1 0 345.487 3.329 10 10 EGCERO COc1ccc(N2CC[C@@H](C[NH2+]C3CC4(C3)CO[C@@H](C)C4)C2)cc1 ZINC000926611329 1327634821 /nfs/dbraw/zinc/63/48/21/1327634821.db2.gz KLTLZADBSYAKMN-ZRDSACAASA-N 1 0 330.472 3.069 10 10 EGCERO COc1ccc(N2CC[C@@H]([NH2+][C@H](C)c3cn4c(n3)CCCC4)C2)cc1 ZINC000926680599 1327663972 /nfs/dbraw/zinc/66/39/72/1327663972.db2.gz PTXYQZDFGIITPF-HZPDHXFCSA-N 1 0 340.471 3.158 10 10 EGCERO COc1cccc([C@H](C)[NH2+]Cc2cc(C(F)(F)F)nn2C)c1O ZINC000926928376 1327780943 /nfs/dbraw/zinc/78/09/43/1327780943.db2.gz ZATUNXPVKLENKX-VIFPVBQESA-N 1 0 329.322 3.004 10 10 EGCERO CCCCCC[N@H+](C)CC(=O)NCc1ccc2cccnc2c1O ZINC000862028400 1329456065 /nfs/dbraw/zinc/45/60/65/1329456065.db2.gz YCHWPUIFIQJCST-UHFFFAOYSA-N 1 0 329.444 3.069 10 10 EGCERO CCN(CC)c1ccc(C[NH2+][C@](C)(CO)c2cccc(O)c2)cc1F ZINC000862433003 1329486161 /nfs/dbraw/zinc/48/61/61/1329486161.db2.gz SAUPVMCGRLCSGW-HXUWFJFHSA-N 1 0 346.446 3.375 10 10 EGCERO CCN(CC)c1ccc(C[NH2+][C@](C)(CO)c2cccc(O)c2)cc1 ZINC000862432354 1329486230 /nfs/dbraw/zinc/48/62/30/1329486230.db2.gz ZYMFPNCDQZWKJZ-HXUWFJFHSA-N 1 0 328.456 3.236 10 10 EGCERO CCN(CC)c1ccc(C[NH2+][C@@](C)(CO)c2cccc(O)c2)cc1 ZINC000862432353 1329486287 /nfs/dbraw/zinc/48/62/87/1329486287.db2.gz ZYMFPNCDQZWKJZ-FQEVSTJZSA-N 1 0 328.456 3.236 10 10 EGCERO CC1(c2ccc(C[NH2+][C@@H]3CCc4cccc(O)c43)cc2)OCCO1 ZINC000866422363 1330109771 /nfs/dbraw/zinc/10/97/71/1330109771.db2.gz CDLNLBWTWYCGBS-QGZVFWFLSA-N 1 0 325.408 3.389 10 10 EGCERO C[C@@H]([NH2+]Cc1ccnc(F)c1)c1ccc(N2CCOCC2)c(F)c1 ZINC000866474406 1330116871 /nfs/dbraw/zinc/11/68/71/1330116871.db2.gz OONZEFMIRWBZBZ-CYBMUJFWSA-N 1 0 333.382 3.047 10 10 EGCERO C[C@H]([NH2+][C@H]1CCCn2nccc21)c1ccc(N2CCOCC2)c(F)c1 ZINC000866631988 1330136004 /nfs/dbraw/zinc/13/60/04/1330136004.db2.gz HHKPNMVFXJPPLK-YOEHRIQHSA-N 1 0 344.434 3.045 10 10 EGCERO Cc1cc(C)c(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)s1 ZINC001134881749 1376765344 /nfs/dbraw/zinc/76/53/44/1376765344.db2.gz GIXHROXZXHISSZ-QGZVFWFLSA-N 1 0 345.512 3.464 10 10 EGCERO Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2CC[C@@H]3C[N@@H+](C)C[C@H]23)cc1 ZINC001135240929 1376996803 /nfs/dbraw/zinc/99/68/03/1376996803.db2.gz OMMQUBBFPIZUNI-YZGWKJHDSA-N 1 0 337.467 3.164 10 10 EGCERO CN(Cc1ccc(N2CCCC2)cc1)C(=O)C[N@H+](C)CC(C)(C)C ZINC001136025615 1377302809 /nfs/dbraw/zinc/30/28/09/1377302809.db2.gz QVZYLKZNEJWQRT-UHFFFAOYSA-N 1 0 331.504 3.223 10 10 EGCERO CC[NH+](CC)Cc1ccc(NC(=O)Cc2ccc(O)c(O)c2)cc1 ZINC001138269667 1377696244 /nfs/dbraw/zinc/69/62/44/1377696244.db2.gz NCXGHFUVIKJGEJ-UHFFFAOYSA-N 1 0 328.412 3.121 10 10 EGCERO CN(C)c1ccc(CN(C(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)C2CC2)cc1 ZINC001141506185 1378336389 /nfs/dbraw/zinc/33/63/89/1378336389.db2.gz STRIOWDADNUCHZ-XLIONFOSSA-N 1 0 343.515 3.364 10 10 EGCERO CN1CCN(c2ccc(C[NH2+]C(C)(C3CC3)C3CC3)cc2F)CC1 ZINC001327793664 1388596733 /nfs/dbraw/zinc/59/67/33/1388596733.db2.gz UPQQLIZRYQCVDI-UHFFFAOYSA-N 1 0 331.479 3.246 10 10 EGCERO CCOC(=O)CC(C)(C)CC(=O)C(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC001297562944 1383185416 /nfs/dbraw/zinc/18/54/16/1383185416.db2.gz UIKGSZVKFGJIAE-INIZCTEOSA-N 1 0 347.455 3.187 10 10 EGCERO CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@@H]2[C@@H](O)c2ccccc2)c1O ZINC001307986849 1384069066 /nfs/dbraw/zinc/06/90/66/1384069066.db2.gz DBGWMFDVBNWADQ-QUCCMNQESA-N 1 0 343.398 3.432 10 10 EGCERO CC/C=C(/C)C(=O)NCC1CC([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001316813137 1384612321 /nfs/dbraw/zinc/61/23/21/1384612321.db2.gz HFOCNIQELYEOIY-NSIKDUERSA-N 1 0 330.472 3.344 10 10 EGCERO COc1ccc(C[NH2+][C@H](C)[C@H](C)NC(=O)C2(F)CCCC2)cc1C ZINC001329066355 1388951895 /nfs/dbraw/zinc/95/18/95/1388951895.db2.gz DTVRFCRKYQSPPE-CABCVRRESA-N 1 0 336.451 3.269 10 10 EGCERO COc1ccc(C[NH2+][C@@H](C)CCNC(=O)[C@@]2(C)C=CCC2)cc1C ZINC001317403313 1385117144 /nfs/dbraw/zinc/11/71/44/1385117144.db2.gz WGJREHXNSALUCO-JXFKEZNVSA-N 1 0 330.472 3.344 10 10 EGCERO COc1ccc(C[NH2+]CCN(C)C(=O)c2cscc2C)cc1C ZINC001317578431 1385347011 /nfs/dbraw/zinc/34/70/11/1385347011.db2.gz BONYZQJNXPBHBH-UHFFFAOYSA-N 1 0 332.469 3.235 10 10 EGCERO COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)c2coc(C)c2)cc1C ZINC001331425959 1389743896 /nfs/dbraw/zinc/74/38/96/1389743896.db2.gz FOXZMOFLICNLEL-AWEZNQCLSA-N 1 0 330.428 3.155 10 10 EGCERO CC/C(C)=C/C(=O)N1CC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)[C@H]1C ZINC001331888543 1389899648 /nfs/dbraw/zinc/89/96/48/1389899648.db2.gz WCYVBKDGJGRJBB-NJJOGOQNSA-N 1 0 330.472 3.439 10 10 EGCERO COc1ccc(C[NH2+][C@H]2C[C@H](CNC(=O)C3(C)CC=CC3)C2)cc1C ZINC001488851592 1391735302 /nfs/dbraw/zinc/73/53/02/1391735302.db2.gz QTFIFIOIKBMJNO-IYARVYRRSA-N 1 0 342.483 3.344 10 10 EGCERO CCC(CC)C[NH2+]C[C@H](C)N(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001698863751 1406576513 /nfs/dbraw/zinc/57/65/13/1406576513.db2.gz INXWYXGQLIWQMU-ZDUSSCGKSA-N 1 0 347.463 3.335 10 10 EGCERO COc1ccc(C[NH2+][C@H](CNC(=O)/C=C(\C)C2CC2)C2CC2)cc1C ZINC001490636657 1394287938 /nfs/dbraw/zinc/28/79/38/1394287938.db2.gz DPGWPZIXWIVKQY-FIIODCPWSA-N 1 0 342.483 3.344 10 10 EGCERO COc1ccc(C[NH2+]C[C@H]2CCCN(C(=O)CCCF)C2)cc1C ZINC001491169726 1394457257 /nfs/dbraw/zinc/45/72/57/1394457257.db2.gz QOTGLRUNWOVDIX-QGZVFWFLSA-N 1 0 336.451 3.082 10 10 EGCERO COc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)CCC(C)(F)F)cc1C ZINC001482300307 1394876426 /nfs/dbraw/zinc/87/64/26/1394876426.db2.gz BIYSLWIOGUPBRL-AWEZNQCLSA-N 1 0 342.430 3.376 10 10 EGCERO COc1ccc(C[NH2+]C[C@@H](CC(C)C)NC(=O)C(C)(C)F)cc1C ZINC001482373462 1394935030 /nfs/dbraw/zinc/93/50/30/1394935030.db2.gz LEXOCOPLSRBNKZ-MRXNPFEDSA-N 1 0 338.467 3.372 10 10 EGCERO COc1ccc(C[NH2+][C@H](CNC(=O)c2ccoc2C)C(C)C)cc1C ZINC001482515274 1395066532 /nfs/dbraw/zinc/06/65/32/1395066532.db2.gz QCPZVRJUUMQQHB-GOSISDBHSA-N 1 0 344.455 3.449 10 10 EGCERO COc1ccc(C[NH2+]C[C@H](C)NC(=O)C(C)(C)C(F)(F)F)cc1C ZINC001498168324 1396930015 /nfs/dbraw/zinc/93/00/15/1396930015.db2.gz NYMPTTSWSGZFGA-LBPRGKRZSA-N 1 0 346.393 3.186 10 10 EGCERO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)c2ccccc2F)cc1C ZINC001699352272 1412659524 /nfs/dbraw/zinc/65/95/24/1412659524.db2.gz AQEIMXHUMICBRE-CQSZACIVSA-N 1 0 330.403 3.051 10 10 EGCERO COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)CCc2ccoc2)cc1C ZINC001700747422 1414416448 /nfs/dbraw/zinc/41/64/48/1414416448.db2.gz DVSSRNIFCHHWEC-INIZCTEOSA-N 1 0 344.455 3.166 10 10 EGCERO COc1ccc(C[NH2+]C[C@@H]2CCC[C@@H]2NC(=O)CCCF)cc1C ZINC001732620141 1428882534 /nfs/dbraw/zinc/88/25/34/1428882534.db2.gz LWIDVOIBUDPQPL-IRXDYDNUSA-N 1 0 336.451 3.128 10 10 EGCERO COc1ccc(C[NH2+]C[C@](C)(NC(=O)C(C)(C)F)C2CC2)cc1C ZINC001714158152 1418969086 /nfs/dbraw/zinc/96/90/86/1418969086.db2.gz ZEHAESQWASFKNR-IBGZPJMESA-N 1 0 336.451 3.126 10 10 EGCERO COc1ccc(C[NH2+][C@H](C)CCNC(=O)[C@@H](C)C(C)(F)F)cc1C ZINC001714490076 1419213593 /nfs/dbraw/zinc/21/35/93/1419213593.db2.gz XLROBMPHLAOERQ-ZIAGYGMSSA-N 1 0 342.430 3.279 10 10 EGCERO COc1ccc(C[NH2+]CCN(C)C(=O)[C@H]2CCCC2(C)C)cc1C ZINC001714743975 1419490735 /nfs/dbraw/zinc/49/07/35/1419490735.db2.gz CKAGJRLSFKOHAP-QGZVFWFLSA-N 1 0 332.488 3.378 10 10 EGCERO COc1ccc(C[NH2+]C2(CNC(=O)[C@]3(C)C=CCC3)CC2)cc1C ZINC001733253315 1429402347 /nfs/dbraw/zinc/40/23/47/1429402347.db2.gz UCTUFRXXHQKMIW-LJQANCHMSA-N 1 0 328.456 3.098 10 10 EGCERO COc1ccc(C[NH2+]C[C@H](C)NC(=O)[C@@H]2CCCC2(C)C)cc1C ZINC001715990606 1420446662 /nfs/dbraw/zinc/44/66/62/1420446662.db2.gz LUBXORDLNRBPJC-RDJZCZTQSA-N 1 0 332.488 3.424 10 10 EGCERO COc1ccc(C[NH2+]C/C=C/CNC(=O)Cc2ccsc2)cc1C ZINC001716265621 1420588419 /nfs/dbraw/zinc/58/84/19/1420588419.db2.gz PEOJVQOOBXVRSM-ONEGZZNKSA-N 1 0 344.480 3.070 10 10 EGCERO COc1ccc(C[NH2+]C[C@@H](NC(=O)/C=C(\C)C2CC2)C2CC2)cc1C ZINC001716605157 1420772888 /nfs/dbraw/zinc/77/28/88/1420772888.db2.gz RFELNODNDZJSQR-FIIODCPWSA-N 1 0 342.483 3.344 10 10 EGCERO COc1ccc(C[NH2+]CC[C@H]2CCN(C(=O)C3CC(C)C3)C2)cc1C ZINC001717079454 1421102178 /nfs/dbraw/zinc/10/21/78/1421102178.db2.gz PITLXXNZZFISFP-RMXPPQQLSA-N 1 0 344.499 3.378 10 10 EGCERO COc1ccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)C(C)(C)C2CC2)cc1C ZINC001717425413 1421354534 /nfs/dbraw/zinc/35/45/34/1421354534.db2.gz RKDQCCILQDUNNV-HUUCEWRRSA-N 1 0 332.488 3.423 10 10 EGCERO CC[C@H](C)[C@H](C)C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001731455377 1427431541 /nfs/dbraw/zinc/43/15/41/1427431541.db2.gz POOJRDSQHBQWIB-IKICRFKJSA-N 1 0 332.488 3.423 10 10 EGCERO COc1ccc(C[NH2+]C2(CNC(=O)CCC(F)F)CCC2)cc1C ZINC001733718028 1429937238 /nfs/dbraw/zinc/93/72/38/1429937238.db2.gz IDLKMXPFWXBWRH-UHFFFAOYSA-N 1 0 340.414 3.177 10 10 EGCERO CCN(C)c1ccc(C[NH2+][C@](C)(CO)Cc2ccc(F)cc2)cc1 ZINC001473839532 1126199936 /nfs/dbraw/zinc/19/99/36/1126199936.db2.gz CZSSQYBUPSKZLC-FQEVSTJZSA-N 1 0 330.447 3.365 10 10 EGCERO C[C@@H](NC(=O)Nc1cccs1)c1ccc(N2CC[NH+](C)CC2)cc1 ZINC000069393062 215398872 /nfs/dbraw/zinc/39/88/72/215398872.db2.gz IKPHOURPLHDKST-CQSZACIVSA-N 1 0 344.484 3.383 10 10 EGCERO CC[C@H]([NH2+][C@@H]1CN2CCC1CC2)c1cc(Br)ccc1O ZINC000019947266 212089777 /nfs/dbraw/zinc/08/97/77/212089777.db2.gz GKUWLOGOOYQCPK-LSDHHAIUSA-N 1 0 339.277 3.290 10 10 EGCERO CNC(=O)C1CC[NH+](Cc2cc(Cl)c3ccccc3c2O)CC1 ZINC000012819045 453410742 /nfs/dbraw/zinc/41/07/42/453410742.db2.gz CQFHIPWVPDFJGV-UHFFFAOYSA-N 1 0 332.831 3.157 10 10 EGCERO Cc1ccsc1C[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000071825307 454226195 /nfs/dbraw/zinc/22/61/95/454226195.db2.gz KODAGEIWFOSEDN-UHFFFAOYSA-N 1 0 334.460 3.447 10 10 EGCERO COc1ccc(N2CCC([NH2+]Cc3cnn(C(C)(C)C)c3)CC2)cc1 ZINC000071924585 454260159 /nfs/dbraw/zinc/26/01/59/454260159.db2.gz GIPATUGWOUCVER-UHFFFAOYSA-N 1 0 342.487 3.405 10 10 EGCERO CCN(CC)c1ccc(C[NH+]2CCC(n3cncn3)CC2)cc1F ZINC000092647806 454599019 /nfs/dbraw/zinc/59/90/19/454599019.db2.gz XWSKTHFIRJIMDE-UHFFFAOYSA-N 1 0 331.439 3.101 10 10 EGCERO Cc1cc(O)c(C[N@@H+](C)Cc2cn(C)nc2C(F)(F)F)cc1C ZINC000138105703 454788562 /nfs/dbraw/zinc/78/85/62/454788562.db2.gz DJIKMHSREXYESN-UHFFFAOYSA-N 1 0 327.350 3.393 10 10 EGCERO CC[C@H]([NH2+][C@@H]1CCCN(c2cnn(C)c2)C1)c1ccc(N(C)C)cc1 ZINC000166557303 454913456 /nfs/dbraw/zinc/91/34/56/454913456.db2.gz FEXBHXGMNQSYQH-XLIONFOSSA-N 1 0 341.503 3.196 10 10 EGCERO CC(=O)c1cc(F)cc(C[NH2+][C@@H]2CCCC[C@@H]2n2cccn2)c1O ZINC000127850960 455003848 /nfs/dbraw/zinc/00/38/48/455003848.db2.gz JXPMCTWFSJTXGS-SJORKVTESA-N 1 0 331.391 3.204 10 10 EGCERO COc1cc(O)c(C[N@@H+]2CC3(CCCC3)OC(C)(C)C2)cc1OC ZINC000190462168 455323291 /nfs/dbraw/zinc/32/32/91/455323291.db2.gz JOWIJBWXBKLYEP-UHFFFAOYSA-N 1 0 335.444 3.333 10 10 EGCERO CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3O)C[C@@H]21 ZINC000184241429 455365668 /nfs/dbraw/zinc/36/56/68/455365668.db2.gz AJZRTICHVCQBQP-CWRNSKLLSA-N 1 0 332.444 3.127 10 10 EGCERO C[C@@H]([NH2+]C1CCN(C(=O)c2ccccc2)CC1)c1cc(F)ccc1O ZINC000185172989 455515807 /nfs/dbraw/zinc/51/58/07/455515807.db2.gz IKDNPLFBSGKDRD-CQSZACIVSA-N 1 0 342.414 3.487 10 10 EGCERO CC(C)c1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1cc(Cl)ccc1O)CC2 ZINC000185996507 455670990 /nfs/dbraw/zinc/67/09/90/455670990.db2.gz HJGJXBFUEMSCGN-AAEUAGOBSA-N 1 0 334.851 3.426 10 10 EGCERO CCc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1ccc3ccccc3c1O)CC2 ZINC000185995480 455671058 /nfs/dbraw/zinc/67/10/58/455671058.db2.gz FODLCONYDPQDGP-UKRRQHHQSA-N 1 0 336.439 3.365 10 10 EGCERO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2cc(OC)ccc2O)C12CCOCC2 ZINC000186317774 455741454 /nfs/dbraw/zinc/74/14/54/455741454.db2.gz AVDNVORTVXFZPI-DOPJRALCSA-N 1 0 335.444 3.026 10 10 EGCERO CN(C)c1ccc(C[N@@H+]2CCC[C@@H](c3nncn3C3CC3)C2)cc1 ZINC000193439363 455759015 /nfs/dbraw/zinc/75/90/15/455759015.db2.gz SQFXMSPEPDFXGS-MRXNPFEDSA-N 1 0 325.460 3.059 10 10 EGCERO Cc1cc(Cl)cc(C[N@@H+]2CCC[C@H](CC(C)(C)C(N)=O)C2)c1O ZINC000294739899 455825843 /nfs/dbraw/zinc/82/58/43/455825843.db2.gz HCCQVMLUEOFOEU-CYBMUJFWSA-N 1 0 338.879 3.468 10 10 EGCERO Cc1cc(N2CCC[C@H]([NH2+][C@H](C)c3cc(C)ccc3O)C2)n(C)n1 ZINC000278467388 455836649 /nfs/dbraw/zinc/83/66/49/455836649.db2.gz NHRULWKCQSEWBC-CVEARBPZSA-N 1 0 328.460 3.062 10 10 EGCERO CC[C@@H]([NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F)[C@@H](O)C(F)F ZINC000295062767 455837598 /nfs/dbraw/zinc/83/75/98/455837598.db2.gz OMLPXSSACZPHJX-CHWSQXEVSA-N 1 0 340.336 3.266 10 10 EGCERO CCOc1ccc(O)c(C[N@@H+]2CCC[C@@](O)(C(F)(F)F)CC2)c1 ZINC000289247968 456118814 /nfs/dbraw/zinc/11/88/14/456118814.db2.gz FBENZDLMSMUJQR-HNNXBMFYSA-N 1 0 333.350 3.070 10 10 EGCERO C[C@@H]1CC(C[NH2+]Cc2cc(Br)ccc2O)C[C@@H](C)O1 ZINC000282174034 456432932 /nfs/dbraw/zinc/43/29/32/456432932.db2.gz JLTBQLIYQNCRIW-GHMZBOCLSA-N 1 0 328.250 3.448 10 10 EGCERO COc1ccc(N2CCC([NH2+]C[C@@](C)(O)CCC(C)C)CC2)cc1 ZINC000305196071 456536279 /nfs/dbraw/zinc/53/62/79/456536279.db2.gz ZJMUKRNIZKOQFD-FQEVSTJZSA-N 1 0 334.504 3.441 10 10 EGCERO Cc1ccc(O)c(C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2C)c1 ZINC000277252078 456745687 /nfs/dbraw/zinc/74/56/87/456745687.db2.gz AGPYVFLRHKEWMD-GDBMZVCRSA-N 1 0 334.460 3.436 10 10 EGCERO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)NCC[C@@H](C)F)C1 ZINC000356713636 457129498 /nfs/dbraw/zinc/12/94/98/457129498.db2.gz WZOFSDMJNJADLW-OAHLLOKOSA-N 1 0 345.462 3.272 10 10 EGCERO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)c2nnc3n2CCCCC3)c1 ZINC000373931003 457406367 /nfs/dbraw/zinc/40/63/67/457406367.db2.gz AAXYDLDGJUCIOJ-OLZOCXBDSA-N 1 0 330.432 3.131 10 10 EGCERO Cc1cccc(C[NH+]2CCC3(C[C@H]3C(=O)N3CCCCC3)CC2)c1O ZINC000364720329 457679413 /nfs/dbraw/zinc/67/94/13/457679413.db2.gz CRXHRQJYALLJJH-SFHVURJKSA-N 1 0 342.483 3.315 10 10 EGCERO CN(C)c1ccc(C[NH2+][C@H]2CC[C@@H](C(=O)N3CCCCC3)C2)cc1 ZINC000366633515 457873832 /nfs/dbraw/zinc/87/38/32/457873832.db2.gz LBZNOMUUHGTPPC-MSOLQXFVSA-N 1 0 329.488 3.023 10 10 EGCERO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NCC2CCC2)C1 ZINC000435495236 458154805 /nfs/dbraw/zinc/15/48/05/458154805.db2.gz MSQCOSSBZCMQTE-UHFFFAOYSA-N 1 0 339.483 3.324 10 10 EGCERO CC[C@H]1C[N@H+](Cc2ccc(N3CCCCC3)cc2)C[C@]2(CCOC2)O1 ZINC000376020185 458165968 /nfs/dbraw/zinc/16/59/68/458165968.db2.gz DYLHYARPKGOPLF-SFTDATJTSA-N 1 0 344.499 3.447 10 10 EGCERO Cc1cc(Br)cc([C@H](C)N[C@H]2CC[NH2+]C23CCC3)c1O ZINC000530217245 458720035 /nfs/dbraw/zinc/72/00/35/458720035.db2.gz SJPAETLHJXJWTF-FZMZJTMJSA-N 1 0 339.277 3.398 10 10 EGCERO Cc1cc(Br)cc(C[NH2+]CC[C@@H]2CCCOC2)c1O ZINC000529637249 459831779 /nfs/dbraw/zinc/83/17/79/459831779.db2.gz QOCBUPSOZBHKSO-LBPRGKRZSA-N 1 0 328.250 3.369 10 10 EGCERO CC[N@@H+]1CC[C@@H](CNC(=O)c2sccc2-n2c(C)ccc2C)C1 ZINC000729626671 574874456 /nfs/dbraw/zinc/87/44/56/574874456.db2.gz GGQKGONEKWHJBX-HNNXBMFYSA-N 1 0 331.485 3.227 10 10 EGCERO COc1ccc(O)c([C@H](C)NC(=O)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)c1 ZINC000730825500 575025790 /nfs/dbraw/zinc/02/57/90/575025790.db2.gz DYRYMEWGJAKMMN-ZNMIVQPWSA-N 1 0 349.475 3.024 10 10 EGCERO Cc1ccc(C)n1-c1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000732034715 575232676 /nfs/dbraw/zinc/23/26/76/575232676.db2.gz GYJGDCLTXFHHPQ-HXUWFJFHSA-N 1 0 337.467 3.403 10 10 EGCERO CC(C)n1cc([C@@H](C)[NH2+]Cc2ccc(N3CCOCC3)cc2)cn1 ZINC000732820964 575289659 /nfs/dbraw/zinc/28/96/59/575289659.db2.gz QVBRJEZRVDTQDY-MRXNPFEDSA-N 1 0 328.460 3.151 10 10 EGCERO Cc1cc(N(C)C)ccc1CNC(=O)NCC[NH+]1[C@H](C)CCC[C@H]1C ZINC000734528759 575509749 /nfs/dbraw/zinc/50/97/49/575509749.db2.gz CROOCMGFWKQESR-IAGOWNOFSA-N 1 0 346.519 3.123 10 10 EGCERO CN(C)c1ccc(CNC(=O)C[N@@H+]2CCC3(C2)CCCCC3)cc1 ZINC000741807684 576724214 /nfs/dbraw/zinc/72/42/14/576724214.db2.gz KHGGIPBYSZLUJO-UHFFFAOYSA-N 1 0 329.488 3.025 10 10 EGCERO CCC1(O)CC[NH+](Cc2c(O)c(C(=O)OC)cc3ccccc32)CC1 ZINC000742171224 576755237 /nfs/dbraw/zinc/75/52/37/576755237.db2.gz ITZAKKNUCPYGFW-UHFFFAOYSA-N 1 0 343.423 3.069 10 10 EGCERO CCOC(=O)[C@@H]1CC[C@H]([NH2+]Cc2ccc(N3CCCCC3)cc2)C1 ZINC000125868231 1293518852 /nfs/dbraw/zinc/51/88/52/1293518852.db2.gz GLELIDFYZQKSLJ-MSOLQXFVSA-N 1 0 330.472 3.498 10 10 EGCERO COc1ccc(C[NH+]2CCC(C(=O)N3CCCCCC3)CC2)c(O)c1 ZINC000179753916 1294823442 /nfs/dbraw/zinc/82/34/42/1294823442.db2.gz DGALYDWKBDIMQR-UHFFFAOYSA-N 1 0 346.471 3.015 10 10 EGCERO CC[C@@H]([NH2+]C1CCN(c2ccc(OC)cc2)CC1)[C@H]1CCCOC1 ZINC000872030601 1296680408 /nfs/dbraw/zinc/68/04/08/1296680408.db2.gz IIJZKDMAZRXAPM-OXJNMPFZSA-N 1 0 332.488 3.459 10 10 EGCERO CC[C@H]([NH2+]C[C@@H]1CCN(c2ccc(OC)cc2)C1)[C@H]1CCCOC1 ZINC000872080842 1296722676 /nfs/dbraw/zinc/72/26/76/1296722676.db2.gz SRIRPKAIKDVNPZ-ZWOKBUDYSA-N 1 0 332.488 3.316 10 10 EGCERO COc1ccc(N2CC[C@@H]([NH2+][C@H](C)c3cc(O)ccc3F)C2)cc1 ZINC000872085068 1296725183 /nfs/dbraw/zinc/72/51/83/1296725183.db2.gz NCRQJYLBHXTSDG-ZIAGYGMSSA-N 1 0 330.403 3.469 10 10 EGCERO C[C@H]([NH2+]C[C@@H]1CC(C)(C)CO1)c1ccc(N2CCOCC2)c(F)c1 ZINC000872108195 1296733486 /nfs/dbraw/zinc/73/34/86/1296733486.db2.gz XKGFDMHZMGRFNZ-HOCLYGCPSA-N 1 0 336.451 3.128 10 10 EGCERO CC[C@H]([NH2+]CC1C[C@H]2CC[C@@H](C1)S2(=O)=O)c1ccc(C)cc1O ZINC000872118489 1296743418 /nfs/dbraw/zinc/74/34/18/1296743418.db2.gz AOSBEEFDAKNIMF-BTFYYFJDSA-N 1 0 337.485 3.097 10 10 EGCERO CCOc1ccc(O)c(C[NH2+]CC[C@H]2CCC3(CCOCC3)CO2)c1 ZINC000886300391 1303426451 /nfs/dbraw/zinc/42/64/51/1303426451.db2.gz HAWYYSSNUXIZCN-QGZVFWFLSA-N 1 0 349.471 3.246 10 10 EGCERO COC(=O)c1c(C[N@H+](C)[C@@H]2CCSC2)c2cc(F)ccc2n1C ZINC000893929032 1306133817 /nfs/dbraw/zinc/13/38/17/1306133817.db2.gz KNDIRZQSLBBTPC-GFCCVEGCSA-N 1 0 336.432 3.041 10 10 EGCERO COc1cc(C)cc(C[NH2+][C@H](C)c2ccc3c(c2)OCCO3)c1O ZINC000894162130 1306254064 /nfs/dbraw/zinc/25/40/64/1306254064.db2.gz YGQKNSRLKZZEQG-CYBMUJFWSA-N 1 0 329.396 3.331 10 10 EGCERO COC(=O)c1c(CNCc2csc(C)n2)c2cc(F)ccc2n1C ZINC000894164119 1306256251 /nfs/dbraw/zinc/25/62/51/1306256251.db2.gz CWLCBOZMVCKBBU-UHFFFAOYSA-N 1 0 347.415 3.159 10 10 EGCERO COC(=O)c1c(C[NH2+]CCC(F)(F)F)c2cc(F)ccc2n1C ZINC000894310906 1306336565 /nfs/dbraw/zinc/33/65/65/1306336565.db2.gz WSSISCKRDHMRAC-UHFFFAOYSA-N 1 0 332.297 3.146 10 10 EGCERO CCCCN(Cc1ncc(C(=O)OC)s1)Cc1ccccc1O ZINC000894679569 1309018278 /nfs/dbraw/zinc/01/82/78/1309018278.db2.gz SSAXPSPHZFMXBO-UHFFFAOYSA-N 1 0 334.441 3.438 10 10 EGCERO CCOc1ccc(CN(c2ccccn2)[C@H]2CC[C@H]([NH3+])CC2)c(O)c1 ZINC000895111038 1309195471 /nfs/dbraw/zinc/19/54/71/1309195471.db2.gz IWQVYZHEBSFWMP-QAQDUYKDSA-N 1 0 341.455 3.462 10 10 EGCERO Cc1cc(N(C)C)ccc1C[NH2+]C[C@@H]1CCC2(CCOCC2)CO1 ZINC000895537899 1309389974 /nfs/dbraw/zinc/38/99/74/1309389974.db2.gz WTKWSJFBYAHKHW-IBGZPJMESA-N 1 0 332.488 3.126 10 10 EGCERO Cc1cc(O)c(C[NH2+]C[C@@H](O)C(F)(F)C(F)(F)F)cc1Cl ZINC000895676901 1309460722 /nfs/dbraw/zinc/46/07/22/1309460722.db2.gz DULJPTSBCIVCCO-SNVBAGLBSA-N 1 0 333.684 3.002 10 10 EGCERO COc1cccc(CN2C[C@H]([NH+](C)C)CCc3ccccc32)c1O ZINC000857899246 1328619197 /nfs/dbraw/zinc/61/91/97/1328619197.db2.gz AIMKBKUBFQWDFI-QGZVFWFLSA-N 1 0 326.440 3.284 10 10 EGCERO Cc1ccc(O[C@@H]2CC[N@@H+](Cc3ccc(N(C)C)c(F)c3)C2)nc1 ZINC000858011914 1328658228 /nfs/dbraw/zinc/65/82/28/1328658228.db2.gz UFASJBSBOOEOTC-MRXNPFEDSA-N 1 0 329.419 3.248 10 10 EGCERO Cc1nn(C)c(C)c1C[C@H](C)[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858145830 1328695394 /nfs/dbraw/zinc/69/53/94/1328695394.db2.gz GTEDSZUWRGSVNE-NSHDSACASA-N 1 0 336.430 3.102 10 10 EGCERO c1cc(N2CCOCC2)ccc1C[NH2+]C[C@@H]1CCN1C1CCCCC1 ZINC000858221073 1328714419 /nfs/dbraw/zinc/71/44/19/1328714419.db2.gz AOSAARIRROYZJR-NRFANRHFSA-N 1 0 343.515 3.020 10 10 EGCERO CCN(Cc1ccccc1)c1ccc(C[NH2+][C@H]2C[C@H](C(N)=O)C2)cc1 ZINC000858249855 1328722334 /nfs/dbraw/zinc/72/23/34/1328722334.db2.gz ZNEOFKIPZQUDIT-WGSAOQKQSA-N 1 0 337.467 3.067 10 10 EGCERO COc1ccc(C[NH2+]CC2(OCCO)CCC(F)(F)CC2)cc1C ZINC000858236094 1328718817 /nfs/dbraw/zinc/71/88/17/1328718817.db2.gz AGKFKXNPCPIPID-UHFFFAOYSA-N 1 0 343.414 3.050 10 10 EGCERO Oc1cccc(Br)c1C[NH2+]C[C@H]1CCN1C1CCCC1 ZINC000858286184 1328729602 /nfs/dbraw/zinc/72/96/02/1328729602.db2.gz UIDXHHVTIPYLCL-CYBMUJFWSA-N 1 0 339.277 3.261 10 10 EGCERO CC[C@H]([NH2+]CC1(OCCO)CCC(F)(F)CC1)c1ccccc1O ZINC000858483428 1328775547 /nfs/dbraw/zinc/77/55/47/1328775547.db2.gz MAHWFGZTIONIDV-HNNXBMFYSA-N 1 0 343.414 3.390 10 10 EGCERO C[C@H]([NH2+][C@@H](C)c1ccc(F)nc1)c1ccc(N2CCOCC2)cc1 ZINC000930210570 1328812720 /nfs/dbraw/zinc/81/27/20/1328812720.db2.gz OHKFPNFDDXTVPZ-GJZGRUSLSA-N 1 0 329.419 3.469 10 10 EGCERO CN(C)c1ccc(CN[C@H](CC[NH+](C)C)c2cccnc2)cc1F ZINC000922633153 1322576305 /nfs/dbraw/zinc/57/63/05/1322576305.db2.gz ZFWDIRJENDWIHD-GOSISDBHSA-N 1 0 330.451 3.069 10 10 EGCERO CC[N@H+](Cc1ccc(N2CCOCC2)cc1)[C@H](CO)c1ccccc1 ZINC000931699991 1329166949 /nfs/dbraw/zinc/16/69/49/1329166949.db2.gz CMGJLGFDQRISNV-OAQYLSRUSA-N 1 0 340.467 3.079 10 10 EGCERO c1cc(N2CCSCC2)ccc1CN[C@@H]1CC[NH2+]C12CCCC2 ZINC000925478058 1325167381 /nfs/dbraw/zinc/16/73/81/1325167381.db2.gz SMFNMRVGFKFKGI-GOSISDBHSA-N 1 0 331.529 3.004 10 10 EGCERO CC[C@H](C[C@](C)(O)CC)[NH2+]C[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000926611122 1327634453 /nfs/dbraw/zinc/63/44/53/1327634453.db2.gz IFOAWRUDSKKGOW-SQGPQFPESA-N 1 0 334.504 3.441 10 10 EGCERO CC[C@H]([NH2+]CCc1ccccc1S(=O)(=O)CC)c1ccccc1O ZINC000926908486 1327769700 /nfs/dbraw/zinc/76/97/00/1327769700.db2.gz LBBAQCSCPIXYPB-KRWDZBQOSA-N 1 0 347.480 3.469 10 10 EGCERO O=C1C[C@@H](CC[NH2+][C@@H](CCc2ccccc2)c2ccccc2O)CN1 ZINC000926977101 1327805255 /nfs/dbraw/zinc/80/52/55/1327805255.db2.gz CKWPTHPUEPFZGK-MJGOQNOKSA-N 1 0 338.451 3.182 10 10 EGCERO CCC[C@H](O)CC[NH2+][C@H](C)c1cc(Br)cc(OC)c1O ZINC000927025902 1327823739 /nfs/dbraw/zinc/82/37/39/1327823739.db2.gz YXEFSJSYCXXHRR-PWSUYJOCSA-N 1 0 346.265 3.365 10 10 EGCERO C[C@H]1C[C@@H](N(C)Cc2c(O)cccc2Br)CC[N@@H+]1C ZINC000862248593 1329470983 /nfs/dbraw/zinc/47/09/83/1329470983.db2.gz NNSCHSCZUZXNJW-RYUDHWBXSA-N 1 0 327.266 3.069 10 10 EGCERO C[C@@H]1C[C@@H](N(C)Cc2c(O)cccc2Br)CC[N@@H+]1C ZINC000862248591 1329471139 /nfs/dbraw/zinc/47/11/39/1329471139.db2.gz NNSCHSCZUZXNJW-NEPJUHHUSA-N 1 0 327.266 3.069 10 10 EGCERO COc1ccc(N2CCC([NH2+][C@@H]3CC(C)(C)CC[C@H]3O)CC2)cc1 ZINC000865699804 1329730690 /nfs/dbraw/zinc/73/06/90/1329730690.db2.gz ILMMAPIFXVNJJN-RTBURBONSA-N 1 0 332.488 3.193 10 10 EGCERO CCC[C@H](CCO)[NH2+][C@H](C)c1cc(Br)cc(OC)c1O ZINC000866414222 1330108857 /nfs/dbraw/zinc/10/88/57/1330108857.db2.gz ARUATSYAAGVSPU-ZYHUDNBSSA-N 1 0 346.265 3.365 10 10 EGCERO C[C@H](NC(=O)NCCCC[NH+]1CCC(C)CC1)c1ccccc1O ZINC000868103052 1330249288 /nfs/dbraw/zinc/24/92/88/1330249288.db2.gz RCEIMGGUOICLBN-INIZCTEOSA-N 1 0 333.476 3.265 10 10 EGCERO CN(C)c1ccc(CNC(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)cc1F ZINC000868187349 1330260145 /nfs/dbraw/zinc/26/01/45/1330260145.db2.gz JZZBNFYSTLKSRH-DOTOQJQBSA-N 1 0 342.418 3.028 10 10 EGCERO C[C@H](NC(=O)NC1CC[NH+](C2CCCC2)CC1)c1ccccc1O ZINC000868337590 1330272257 /nfs/dbraw/zinc/27/22/57/1330272257.db2.gz SKSXXCNJSOKGMY-AWEZNQCLSA-N 1 0 331.460 3.159 10 10 EGCERO C[C@H](NC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1)c1ccccc1O ZINC000868449151 1330281764 /nfs/dbraw/zinc/28/17/64/1330281764.db2.gz UGGLLCPNMPFACG-UCLAIMLFSA-N 1 0 339.439 3.198 10 10 EGCERO CC[C@@H]([NH2+]CC(=O)NCc1ccc(N(C)C)cc1)c1ccc(F)cc1 ZINC001192451701 1367785079 /nfs/dbraw/zinc/78/50/79/1367785079.db2.gz AIIYXTJNYGXBFT-LJQANCHMSA-N 1 0 343.446 3.249 10 10 EGCERO CCOc1ccc(N2CC[NH+](C[C@@H](O)CC3CCCC3)CC2)cc1 ZINC001116755760 1370968081 /nfs/dbraw/zinc/96/80/81/1370968081.db2.gz UCFMDAQZVNTKNK-IBGZPJMESA-N 1 0 332.488 3.149 10 10 EGCERO CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+][C@@H]2C[C@H](C)c3c2c(O)ccc3C)C1 ZINC001327227576 1388454053 /nfs/dbraw/zinc/45/40/53/1388454053.db2.gz HBTCPIBWTWYNTI-SIRPWMCASA-N 1 0 333.472 3.405 10 10 EGCERO C[C@@H]1CC[C@H](CC(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)C1 ZINC001134686377 1376658351 /nfs/dbraw/zinc/65/83/51/1376658351.db2.gz IPUPEXTVKIUVNA-GJYPPUQNSA-N 1 0 331.504 3.298 10 10 EGCERO CC(C)[C@]1(C)C[C@@H]1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001134686140 1376658543 /nfs/dbraw/zinc/65/85/43/1376658543.db2.gz BCOVXFRLXQPHEE-HBFSDRIKSA-N 1 0 331.504 3.154 10 10 EGCERO CC1CCN(c2ccc(CNC(=O)C3([NH+](C)C)CCCC3)cc2)CC1 ZINC001136705394 1377416442 /nfs/dbraw/zinc/41/64/42/1377416442.db2.gz LCYFDEOKVZSRTQ-UHFFFAOYSA-N 1 0 343.515 3.414 10 10 EGCERO Cc1ccc(C)n1-c1ccc(C(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)cc1 ZINC001142702322 1378480031 /nfs/dbraw/zinc/48/00/31/1378480031.db2.gz QGBPKGVIEPSBLP-AZUAARDMSA-N 1 0 337.467 3.260 10 10 EGCERO COc1ccc(C[NH2+]C[C@H]2C[C@H](NC(=O)/C=C(\C)C3CC3)C2)cc1C ZINC001283024612 1378709521 /nfs/dbraw/zinc/70/95/21/1378709521.db2.gz WBGFFDJDWUACPF-NTHMXMDZSA-N 1 0 342.483 3.344 10 10 EGCERO COc1ccc(C[NH2+][C@H](CCNC(=O)C2CCC2)C(C)C)cc1C ZINC001283434796 1378926643 /nfs/dbraw/zinc/92/66/43/1378926643.db2.gz TZCYJNSOHGTZCN-GOSISDBHSA-N 1 0 332.488 3.424 10 10 EGCERO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC001162800431 1382875768 /nfs/dbraw/zinc/87/57/68/1382875768.db2.gz HWIKEOHOMPTEQU-LJQANCHMSA-N 1 0 329.488 3.166 10 10 EGCERO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]Cc1ccc2oc(=O)n(C)c2c1 ZINC001328799038 1388869462 /nfs/dbraw/zinc/86/94/62/1388869462.db2.gz IHFCZAVRUBVQDS-OCCSQVGLSA-N 1 0 338.407 3.484 10 10 EGCERO CN(C)c1ccc([C@H](CNc2ncnc3ccsc32)[NH+](C)C)cc1 ZINC001307227155 1383961222 /nfs/dbraw/zinc/96/12/22/1383961222.db2.gz CNEVKXCNVIVKBR-INIZCTEOSA-N 1 0 341.484 3.472 10 10 EGCERO CCN(C)c1ccc(CN2CC3(CCCC3)OC[C@H]2C[NH+](C)C)cc1 ZINC001307939669 1384059585 /nfs/dbraw/zinc/05/95/85/1384059585.db2.gz WTPRILXJEIWRGN-HXUWFJFHSA-N 1 0 345.531 3.218 10 10 EGCERO CN(C)c1ccc([C@H](CNC(=O)N(C)CC2CCCC2)[NH+](C)C)cc1 ZINC001313419903 1384416823 /nfs/dbraw/zinc/41/68/23/1384416823.db2.gz VJPXGIWTDOBWPT-IBGZPJMESA-N 1 0 346.519 3.187 10 10 EGCERO COc1ccc(C[NH2+][C@H](C)CNC(=O)C2(C)CC(F)(F)C2)cc1C ZINC001317275982 1385045396 /nfs/dbraw/zinc/04/53/96/1385045396.db2.gz MUCMEMORMPMBGU-CYBMUJFWSA-N 1 0 340.414 3.033 10 10 EGCERO CCC(=O)NC1CC[NH+](Cc2ccc(N3CCCCC3)c(C)c2)CC1 ZINC001176143848 1385494949 /nfs/dbraw/zinc/49/49/49/1385494949.db2.gz AXWHXUXNPKDKGN-UHFFFAOYSA-N 1 0 343.515 3.476 10 10 EGCERO COc1ccc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@@H](C)C(C)C)C2)cc1C ZINC001330668353 1389490953 /nfs/dbraw/zinc/49/09/53/1389490953.db2.gz UXCNJZSDRBJVDL-SZMVWBNQSA-N 1 0 332.488 3.280 10 10 EGCERO c1cc(N2CCCC2)ccc1C[NH2+]C[C@H]1CCC2(CCOCC2)O1 ZINC001334329818 1390517746 /nfs/dbraw/zinc/51/77/46/1390517746.db2.gz JJWIWCCDFFIXGK-LJQANCHMSA-N 1 0 330.472 3.105 10 10 EGCERO Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2[NH2+]CCC1(CS(C)(=O)=O)CC1 ZINC001346857453 1390982667 /nfs/dbraw/zinc/98/26/67/1390982667.db2.gz AGMUOBIBECYVLR-KBPBESRZSA-N 1 0 337.485 3.053 10 10 EGCERO CC/C=C/CC[NH2+][C@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001480625066 1392827640 /nfs/dbraw/zinc/82/76/40/1392827640.db2.gz YYLOODAVLOHPMT-WBMVNBJRSA-N 1 0 343.431 3.009 10 10 EGCERO COc1ccc(C[NH2+]CCN(C)C(=O)[C@@H]2CCC[C@@H](F)C2)cc1C ZINC001481228784 1393151656 /nfs/dbraw/zinc/15/16/56/1393151656.db2.gz GDGFIWUWOQOJAG-IAGOWNOFSA-N 1 0 336.451 3.080 10 10 EGCERO CC[C@@H](CNC(=O)c1cccs1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001481784745 1394529152 /nfs/dbraw/zinc/52/91/52/1394529152.db2.gz RKIPJVVQFUGDIZ-HNNXBMFYSA-N 1 0 332.469 3.363 10 10 EGCERO COc1ccc(C[NH2+]C[C@H](C)NC(=O)[C@H]2CC[C@H](C)CC2)cc1C ZINC001498168756 1396930633 /nfs/dbraw/zinc/93/06/33/1396930633.db2.gz XZKHGPYJYCWJJI-ZVZYQTTQSA-N 1 0 332.488 3.424 10 10 EGCERO CC(C)CCC[NH2+][C@H]1C[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001690302145 1404461098 /nfs/dbraw/zinc/46/10/98/1404461098.db2.gz YACVQEJTLFABPL-WKILWMFISA-N 1 0 345.447 3.136 10 10 EGCERO C[C@H](CCNC(=O)c1ccc(N=NC(N)=O)cc1)[NH2+]CCC(C)(C)C ZINC001690881129 1404794659 /nfs/dbraw/zinc/79/46/59/1404794659.db2.gz KCIKMRLVBQYNLE-CYBMUJFWSA-N 1 0 347.463 3.383 10 10 EGCERO CCN(CC[NH2+]Cc1ccc(OC)c(C)c1)C(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC001699177392 1412554689 /nfs/dbraw/zinc/55/46/89/1412554689.db2.gz UVDNUDVHCSCJSM-RUYXUALKSA-N 1 0 344.499 3.378 10 10 EGCERO CC/C=C/CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001699642283 1413022370 /nfs/dbraw/zinc/02/23/70/1413022370.db2.gz MXCFVAYQNWKCMY-LYKJZRICSA-N 1 0 343.431 3.009 10 10 EGCERO CCC(CC)C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001700625722 1414297637 /nfs/dbraw/zinc/29/76/37/1414297637.db2.gz CWNPNAVVQHYLLC-SAABIXHNSA-N 1 0 332.488 3.424 10 10 EGCERO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)c2occc2Cl)cc1C ZINC001732970529 1429096064 /nfs/dbraw/zinc/09/60/64/1429096064.db2.gz JXOXWSBSEOMGIQ-GFCCVEGCSA-N 1 0 336.819 3.158 10 10 EGCERO CC/C(C)=C/C(=O)N1CC[C@@H](C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001713341584 1417964276 /nfs/dbraw/zinc/96/42/76/1417964276.db2.gz KURADTSCMGMBFY-KAPURRDVSA-N 1 0 330.472 3.298 10 10 EGCERO COc1ccc(C[NH2+][C@H](C)CCNC(=O)C2(C)CC=CC2)cc1C ZINC001713415999 1418039642 /nfs/dbraw/zinc/03/96/42/1418039642.db2.gz NOWZXFRGJKKNGI-MRXNPFEDSA-N 1 0 330.472 3.344 10 10 EGCERO CC[C@@H](CNC(=O)C(C)=C1CCC1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001715060087 1419799176 /nfs/dbraw/zinc/79/91/76/1419799176.db2.gz ZDXPHXNTJIXJFA-SFHVURJKSA-N 1 0 330.472 3.488 10 10 EGCERO COc1ccc(C[NH2+]C[C@](C)(NC(=O)C2CC=CC2)C2CC2)cc1C ZINC001715109513 1419852021 /nfs/dbraw/zinc/85/20/21/1419852021.db2.gz CAOBAVGIOZVZLD-NRFANRHFSA-N 1 0 342.483 3.344 10 10 EGCERO COc1ccc(C[NH2+]C[C@H](C)CNC(=O)[C@@H](C)C2CCC2)cc1C ZINC001715235686 1419966730 /nfs/dbraw/zinc/96/67/30/1419966730.db2.gz ODAGKZROWGWZLQ-HOCLYGCPSA-N 1 0 332.488 3.282 10 10 EGCERO COc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)C2(CF)CCC2)cc1C ZINC001715367629 1420064361 /nfs/dbraw/zinc/06/43/61/1420064361.db2.gz WYYJAGSDBXIMKS-OAHLLOKOSA-N 1 0 336.451 3.080 10 10 EGCERO COc1ccc(C[NH2+][C@H](CNC(=O)c2cscn2)C(C)C)cc1C ZINC001715487560 1420168968 /nfs/dbraw/zinc/16/89/68/1420168968.db2.gz HGZXBEZLDSEWMQ-OAHLLOKOSA-N 1 0 347.484 3.004 10 10 EGCERO COc1ccc(C[NH2+][C@@H](CNC(=O)[C@@H](F)C(C)C)C(C)C)cc1C ZINC001715716671 1420309037 /nfs/dbraw/zinc/30/90/37/1420309037.db2.gz FAIPVRAQXMILFT-WMZOPIPTSA-N 1 0 338.467 3.228 10 10 EGCERO COc1ccc(C[NH2+]C[C@H](C)NC(=O)c2c(F)cccc2F)cc1C ZINC001716461586 1420674654 /nfs/dbraw/zinc/67/46/54/1420674654.db2.gz UDSLCLSUJMQUGG-ZDUSSCGKSA-N 1 0 348.393 3.190 10 10 EGCERO COc1ccc(C[NH2+]CCCN(C)C(=O)[C@@H]2CC[C@@H]3C[C@@H]3C2)cc1C ZINC001716551782 1420758270 /nfs/dbraw/zinc/75/82/70/1420758270.db2.gz LULWMYGBLTZNQC-GUDVDZBRSA-N 1 0 344.499 3.378 10 10 EGCERO C[C@@H](NC(=O)c1ccc(N=NC(N)=O)cc1)[C@H](C)[NH2+]CCC(C)(C)C ZINC001717440645 1421369743 /nfs/dbraw/zinc/36/97/43/1421369743.db2.gz DRFCBKNFHHGRNT-QWHCGFSZSA-N 1 0 347.463 3.382 10 10 EGCERO COc1ccc(C[NH2+][C@@H](C)[C@H](C)NC(=O)c2ccc(C)nc2)cc1C ZINC001725079417 1425518181 /nfs/dbraw/zinc/51/81/81/1425518181.db2.gz IPKJKVWMDCHEBC-HOTGVXAUSA-N 1 0 341.455 3.004 10 10 EGCERO COc1ccc(C[NH2+][C@@H](CNC(=O)CC2(C)CC2)C2CC2)cc1C ZINC001731400092 1427359789 /nfs/dbraw/zinc/35/97/89/1427359789.db2.gz VHHBXWTXMQHVBO-KRWDZBQOSA-N 1 0 330.472 3.178 10 10 EGCERO COc1ccc(C[NH2+][C@H](C)CNC(=O)[C@H]2CCCC2(C)C)cc1C ZINC001731612612 1427658363 /nfs/dbraw/zinc/65/83/63/1427658363.db2.gz NIPBZKXHMQAWGH-NVXWUHKLSA-N 1 0 332.488 3.424 10 10 EGCERO COc1ccc(C[NH2+][C@H](C)CCNC(=O)c2ccc(C)o2)cc1C ZINC001731722785 1427795030 /nfs/dbraw/zinc/79/50/30/1427795030.db2.gz VJCZOFIIGFYJRD-CQSZACIVSA-N 1 0 330.428 3.203 10 10 EGCERO COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)c2cccs2)cc1C ZINC001734314741 1438044758 /nfs/dbraw/zinc/04/47/58/1438044758.db2.gz PTHAUULJAZPHMS-AWEZNQCLSA-N 1 0 332.469 3.315 10 10 EGCERO Oc1cc2c(c(Br)c1O)CC[NH2+]C[C@@H]2c1ccccc1 ZINC000003792506 210075666 /nfs/dbraw/zinc/07/56/66/210075666.db2.gz XKTGLDSNABUNGD-CYBMUJFWSA-N 1 0 334.213 3.138 10 10 EGCERO CN(C)c1ccc(/C=C2\C[NH2+]Cc3c(C(F)(F)F)nn(C)c32)cc1 ZINC000043464059 276881430 /nfs/dbraw/zinc/88/14/30/276881430.db2.gz WGABRXOAMRBZDY-XYOKQWHBSA-N 1 0 336.361 3.149 10 10 EGCERO CO[C@@H]1CC[C@@H]2OCC[N@H+](Cc3cc(Cl)cc(C)c3O)[C@H]2C1 ZINC000180780155 455244262 /nfs/dbraw/zinc/24/42/62/455244262.db2.gz CKPAVFGZXUQWRO-PMPSAXMXSA-N 1 0 325.836 3.122 10 10 EGCERO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H](n3cncn3)C2)cc1F ZINC000119500947 454199611 /nfs/dbraw/zinc/19/96/11/454199611.db2.gz KNRIMKRBTXRXGR-MRXNPFEDSA-N 1 0 331.439 3.101 10 10 EGCERO Cc1ccc(C)n1-c1ccc(C(=O)N2CCC[N@@H+](C3CC3)CC2)cc1 ZINC000058418133 454201798 /nfs/dbraw/zinc/20/17/98/454201798.db2.gz UDOPVJJNHNHINU-UHFFFAOYSA-N 1 0 337.467 3.404 10 10 EGCERO CCCOc1ccc(C[NH+]2CCC(Cc3nccn3C)CC2)c(O)c1 ZINC000121792995 454478016 /nfs/dbraw/zinc/47/80/16/454478016.db2.gz HFSIAIVZHQPSBG-UHFFFAOYSA-N 1 0 343.471 3.369 10 10 EGCERO CCN(C)c1ccc([C@@H](C)[NH2+]C2CCN(C(=O)C(C)C)CC2)cc1 ZINC000134157095 454509345 /nfs/dbraw/zinc/50/93/45/454509345.db2.gz YYUWFITYVJFELC-MRXNPFEDSA-N 1 0 331.504 3.440 10 10 EGCERO C[C@H](C[NH2+][C@H](C)c1ccc(N2CCCCC2)cc1)N1CCOCC1 ZINC000123493887 454643504 /nfs/dbraw/zinc/64/35/04/454643504.db2.gz HMSRHVYWSDHCMN-QZTJIDSGSA-N 1 0 331.504 3.048 10 10 EGCERO C[C@H](C[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1)N1CCOCC1 ZINC000123493522 454643830 /nfs/dbraw/zinc/64/38/30/454643830.db2.gz HMSRHVYWSDHCMN-MSOLQXFVSA-N 1 0 331.504 3.048 10 10 EGCERO CCOc1ccc(O)c(C[N@H+](C)Cc2ccc([S@](C)=O)cc2)c1 ZINC000093713046 454730496 /nfs/dbraw/zinc/73/04/96/454730496.db2.gz DXDCQAGISJAVAW-HSZRJFAPSA-N 1 0 333.453 3.160 10 10 EGCERO Nc1ccc(NC(=O)C[NH+]2CCC(Cc3ccc(F)cc3)CC2)cc1 ZINC000143008685 454839783 /nfs/dbraw/zinc/83/97/83/454839783.db2.gz IJKQHHYYNJBJAW-UHFFFAOYSA-N 1 0 341.430 3.301 10 10 EGCERO CCN(CC)c1ccc(CNC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000174133480 455362893 /nfs/dbraw/zinc/36/28/93/455362893.db2.gz QPDOPYWBHHYWQB-APWZRJJASA-N 1 0 346.519 3.157 10 10 EGCERO COc1cc(Cl)cc(C[NH+]2CCC(Cc3nccn3C)CC2)c1O ZINC000184690693 455428834 /nfs/dbraw/zinc/42/88/34/455428834.db2.gz WAQLDMIPJBJCOS-UHFFFAOYSA-N 1 0 349.862 3.242 10 10 EGCERO C[C@H]([NH2+][C@H]1CCCN(c2ncccn2)C1)c1cc(Cl)ccc1O ZINC000185060785 455494254 /nfs/dbraw/zinc/49/42/54/455494254.db2.gz NJNNJYDDPXLIMG-JSGCOSHPSA-N 1 0 332.835 3.155 10 10 EGCERO CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2ccc(N(C)C)cc2)C12CCOCC2 ZINC000248652787 455724336 /nfs/dbraw/zinc/72/43/36/455724336.db2.gz YJOIUNSFEIGOJS-AYOQOUSVSA-N 1 0 332.488 3.377 10 10 EGCERO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCCC3)cc2)C12CCOCC2 ZINC000186241344 455724457 /nfs/dbraw/zinc/72/44/57/455724457.db2.gz DLTJQOASZDVDLL-WOJBJXKFSA-N 1 0 344.499 3.351 10 10 EGCERO Cc1cc(N2CCC[C@@H]([NH2+][C@H](C)c3ccc(N(C)C)cc3)C2)n(C)n1 ZINC000278165191 455775327 /nfs/dbraw/zinc/77/53/27/455775327.db2.gz ASEFNVPZWLZYOT-SJLPKXTDSA-N 1 0 341.503 3.114 10 10 EGCERO COc1ccc(O)c(C[NH2+]CCc2cccc(C(F)(F)F)n2)c1 ZINC000294023113 455802970 /nfs/dbraw/zinc/80/29/70/455802970.db2.gz VAVBXDPOAXWRCF-UHFFFAOYSA-N 1 0 326.318 3.147 10 10 EGCERO CC[C@H]([NH2+][C@@H]1CCCN(c2cc(C)nn2C)C1)c1ccccc1O ZINC000278416080 455834642 /nfs/dbraw/zinc/83/46/42/455834642.db2.gz IEADKOFDYDMSJA-WBVHZDCISA-N 1 0 328.460 3.144 10 10 EGCERO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCO[C@@H](c3cccnc3)C2)c1 ZINC000295089858 455838709 /nfs/dbraw/zinc/83/87/09/455838709.db2.gz SXWGMZCQODPZAN-ZBQZNYHESA-N 1 0 328.412 3.367 10 10 EGCERO CN(Cc1cccs1)c1ccc(C[NH2+]CCc2cn[nH]c2)cc1 ZINC000295592084 455854030 /nfs/dbraw/zinc/85/40/30/455854030.db2.gz CCIKNOQHZBRHMR-UHFFFAOYSA-N 1 0 326.469 3.440 10 10 EGCERO COC1CCN(c2ccc(C[NH+]3[C@@H](C)CC(O)C[C@@H]3C)cc2)CC1 ZINC000295762989 455858667 /nfs/dbraw/zinc/85/86/67/455858667.db2.gz PCNLZYRWFMXDOM-HOTGVXAUSA-N 1 0 332.488 3.036 10 10 EGCERO CCCN(c1ccc(C[NH3+])cc1)C1CCN(c2nccs2)CC1 ZINC000194977012 455908360 /nfs/dbraw/zinc/90/83/60/455908360.db2.gz DCCVKTXVQGYUQT-UHFFFAOYSA-N 1 0 330.501 3.487 10 10 EGCERO Cc1cc(Cl)cc(C[N@@H+]2C[C@H](C)O[C@]3(CCO[C@@H]3C)C2)c1O ZINC000280596132 456009025 /nfs/dbraw/zinc/00/90/25/456009025.db2.gz XVMAOULKMBTOJM-OGHNNQOOSA-N 1 0 325.836 3.122 10 10 EGCERO Cc1cc(Cl)cc(C[N@@H+]2C[C@H](C)O[C@@]3(CCO[C@H]3C)C2)c1O ZINC000280596128 456009200 /nfs/dbraw/zinc/00/92/00/456009200.db2.gz XVMAOULKMBTOJM-DCGLDWPTSA-N 1 0 325.836 3.122 10 10 EGCERO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)CC1CC[NH+](C)CC1 ZINC000291388180 456628845 /nfs/dbraw/zinc/62/88/45/456628845.db2.gz CDITXZIEZKBQJV-UHFFFAOYSA-N 1 0 331.504 3.222 10 10 EGCERO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@H]2CC[C@@H]2C)C1 ZINC000356749351 457147140 /nfs/dbraw/zinc/14/71/40/457147140.db2.gz OTQLCXJKGKVWNI-YJBOKZPZSA-N 1 0 339.483 3.323 10 10 EGCERO Cc1cc(Br)cc(C[N@@H+]2CCC[C@]23CCOC3)c1O ZINC000367040815 457924350 /nfs/dbraw/zinc/92/43/50/457924350.db2.gz NOLHOPRGBMJGAZ-OAHLLOKOSA-N 1 0 326.234 3.218 10 10 EGCERO COc1cc(O)c(C[N@H+](C)[C@H](C)[C@@H]2Cc3ccccc3O2)cc1OC ZINC000371469760 457948210 /nfs/dbraw/zinc/94/82/10/457948210.db2.gz GNWCYUUZTPOQBL-ACJLOTCBSA-N 1 0 343.423 3.233 10 10 EGCERO COc1cc(O)c(C[NH2+]C[C@H]2CC[C@@H](c3ccccc3)O2)cc1OC ZINC000367955999 458001424 /nfs/dbraw/zinc/00/14/24/458001424.db2.gz LNFRVPOGLQNBMS-AEFFLSMTSA-N 1 0 343.423 3.419 10 10 EGCERO Oc1cc2c(cc1C[N@@H+]1CCC[C@]3(C1)OCc1ccccc13)OCO2 ZINC000373450133 458495454 /nfs/dbraw/zinc/49/54/54/458495454.db2.gz ZAUHXRBLDNPXRS-HXUWFJFHSA-N 1 0 339.391 3.142 10 10 EGCERO Oc1cc(OCc2ccccc2)ccc1C[NH+]1CC([C@H]2CCOC2)C1 ZINC000373464761 458500431 /nfs/dbraw/zinc/50/04/31/458500431.db2.gz HMBBZDBJIMCFHW-SFHVURJKSA-N 1 0 339.435 3.440 10 10 EGCERO Oc1cc(OCc2ccccc2)ccc1CN[C@H]1CC[NH2+]C12CCC2 ZINC000530178855 458710058 /nfs/dbraw/zinc/71/00/58/458710058.db2.gz RTWQWVMVCIEWAE-FQEVSTJZSA-N 1 0 338.451 3.345 10 10 EGCERO COc1cc(Br)cc(C[NH2+][C@@H]2[C@H](C)O[C@@H](C)[C@H]2C)c1O ZINC000527806612 459744219 /nfs/dbraw/zinc/74/42/19/459744219.db2.gz YGENNFZAJLBUQV-YCWTYVPXSA-N 1 0 344.249 3.065 10 10 EGCERO CCn1ncc(C[NH2+][C@@H](CCc2ccccc2)c2ccccc2O)n1 ZINC000527925210 459774114 /nfs/dbraw/zinc/77/41/14/459774114.db2.gz VDINBRUCVMOFFH-IBGZPJMESA-N 1 0 336.439 3.467 10 10 EGCERO COc1ccc(CN2CC[C@H]2C[NH2+][C@H](C)c2ccccc2O)cc1 ZINC000527971454 459785786 /nfs/dbraw/zinc/78/57/86/459785786.db2.gz SIDVHNSKWWIPAZ-WBVHZDCISA-N 1 0 326.440 3.326 10 10 EGCERO C[C@H]1C[C@H]([NH2+]CC(C)(C)C(=O)N2CCCC2)c2c1c(F)ccc2O ZINC000528015725 459796749 /nfs/dbraw/zinc/79/67/49/459796749.db2.gz MNBUDVUDUJBOEJ-JSGCOSHPSA-N 1 0 334.435 3.318 10 10 EGCERO CCCN(CCC)c1ccc(C[NH2+]C2CCC(C(N)=O)CC2)cc1 ZINC000727645420 574680530 /nfs/dbraw/zinc/68/05/30/574680530.db2.gz JGWRMDWLTRUGMC-UHFFFAOYSA-N 1 0 331.504 3.447 10 10 EGCERO Cc1cc(N(C)C)ccc1CNC(=O)NCC[N@H+](C)C1CCCCC1 ZINC000734663989 575533926 /nfs/dbraw/zinc/53/39/26/575533926.db2.gz SALGIZPAIKAOFR-UHFFFAOYSA-N 1 0 346.519 3.125 10 10 EGCERO COC(=O)c1cc2ccccc2c(C[N@H+]2C[C@@H]3[C@H](C2)C3(C)C)c1O ZINC000742164904 576754185 /nfs/dbraw/zinc/75/41/85/576754185.db2.gz PPAYKXLDYQLCPY-CALCHBBNSA-N 1 0 325.408 3.420 10 10 EGCERO O=C1CC2(CCC2)[N@H+](Cc2cc(-c3ccccc3)ccc2O)CCN1 ZINC000895929065 1309597558 /nfs/dbraw/zinc/59/75/58/1309597558.db2.gz UVXTWPCKSOMCTN-UHFFFAOYSA-N 1 0 336.435 3.304 10 10 EGCERO Cc1cc(C)c(O)c(C[NH+]2CCN(C(=O)C3CCCCC3)CC2)c1 ZINC000164215613 1294345488 /nfs/dbraw/zinc/34/54/88/1294345488.db2.gz SBOMVRBXZLBDAN-UHFFFAOYSA-N 1 0 330.472 3.234 10 10 EGCERO CC(=O)NCCC[N@H+](Cc1ccccc1O)[C@@H](C)c1ccccc1 ZINC000179642755 1294809504 /nfs/dbraw/zinc/80/95/04/1294809504.db2.gz AOVOJKXTRYAJDK-INIZCTEOSA-N 1 0 326.440 3.482 10 10 EGCERO CC[C@H]([NH2+]C1CCN(c2ccc(OC)cc2)CC1)[C@H]1CCCOC1 ZINC000872030600 1296679891 /nfs/dbraw/zinc/67/98/91/1296679891.db2.gz IIJZKDMAZRXAPM-JXFKEZNVSA-N 1 0 332.488 3.459 10 10 EGCERO C[C@@H]([NH2+]CCC[C@@H]1CCOC1=O)c1ccc(Br)cc1O ZINC000872114492 1296739947 /nfs/dbraw/zinc/73/99/47/1296739947.db2.gz WSFVCMUWZQKQAW-GHMZBOCLSA-N 1 0 342.233 3.149 10 10 EGCERO Cc1nccnc1[C@@H](C)[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000872135865 1296760733 /nfs/dbraw/zinc/76/07/33/1296760733.db2.gz YHOFOGJLLRWALL-UKRRQHHQSA-N 1 0 344.434 3.173 10 10 EGCERO CC1(C)C[NH2+]CC[C@H]([NH2+]Cc2cccc(Br)c2[O-])C1 ZINC000872252793 1296854230 /nfs/dbraw/zinc/85/42/30/1296854230.db2.gz VRQIQSCXGRZWFC-LBPRGKRZSA-N 1 0 327.266 3.023 10 10 EGCERO C[N@@H+](Cc1cc(Br)cc(F)c1[O-])C[C@H]1CCCCO1 ZINC000715735933 1298284390 /nfs/dbraw/zinc/28/43/90/1298284390.db2.gz COYOTRUJNBVLOQ-GFCCVEGCSA-N 1 0 332.213 3.295 10 10 EGCERO C[C@@H]1C[C@@]2(CC[C@H](C[NH2+]Cc3ccc(N4CCCCC4)cc3)O2)CO1 ZINC000886333670 1303438519 /nfs/dbraw/zinc/43/85/19/1303438519.db2.gz LYFLJERHCFCKMR-UIFIKXQLSA-N 1 0 344.499 3.493 10 10 EGCERO C[C@@H]1[C@H](C)OC[C@]12CC[C@H](C[NH2+]C/C=C\c1ccc(N(C)C)cc1)O2 ZINC000886336339 1303439530 /nfs/dbraw/zinc/43/95/30/1303439530.db2.gz PXWZCXDFGFGXSY-WPBZZICVSA-N 1 0 344.499 3.328 10 10 EGCERO COc1cc(C)cc(C[NH2+]Cc2ccccc2-n2ccc(C)n2)c1O ZINC000894336376 1306347548 /nfs/dbraw/zinc/34/75/48/1306347548.db2.gz HXEOQPUEJONKHS-UHFFFAOYSA-N 1 0 337.423 3.493 10 10 EGCERO COc1cc(C)cc(C[NH2+][C@H](c2ccncc2)C2(CO)CCC2)c1O ZINC000895358946 1309299623 /nfs/dbraw/zinc/29/96/23/1309299623.db2.gz IFACSFFOALJKLX-LJQANCHMSA-N 1 0 342.439 3.098 10 10 EGCERO Fc1cc(C[N@@H+]2CC[C@H](c3nccs3)C2)ccc1N1CCOCC1 ZINC000895583976 1309414147 /nfs/dbraw/zinc/41/41/47/1309414147.db2.gz NNGBCFHUQKNASJ-HNNXBMFYSA-N 1 0 347.459 3.108 10 10 EGCERO CCc1cccc(C[NH2+]CC[C@H]2CCC3(CCOCC3)CO2)c1O ZINC000895799484 1309526129 /nfs/dbraw/zinc/52/61/29/1309526129.db2.gz LVLABNZRAWYBAQ-GOSISDBHSA-N 1 0 333.472 3.410 10 10 EGCERO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000897739679 1310449817 /nfs/dbraw/zinc/44/98/17/1310449817.db2.gz RAYDFMXCZABUII-AAEUAGOBSA-N 1 0 346.452 3.011 10 10 EGCERO Cc1cc(C[NH2+]Cc2ccc3c(c2)CCO3)ncc1Br ZINC000858121148 1328688270 /nfs/dbraw/zinc/68/82/70/1328688270.db2.gz WKZXQCXFKXMXCN-UHFFFAOYSA-N 1 0 333.229 3.377 10 10 EGCERO C[C@H](NC(=O)NC[C@H]1CC[N@@H+]1C1CCCC1)c1ccc(N(C)C)cc1 ZINC000858369735 1328746985 /nfs/dbraw/zinc/74/69/85/1328746985.db2.gz WVKNKKQFFLGOSS-HNAYVOBHSA-N 1 0 344.503 3.130 10 10 EGCERO CCO[C@@]1(C)C[C@H]1[NH2+][C@@H](C)c1cc(Br)cc(OC)c1O ZINC000858503966 1328781750 /nfs/dbraw/zinc/78/17/50/1328781750.db2.gz JNVJPKWYZXLROD-RJIBLYRGSA-N 1 0 344.249 3.381 10 10 EGCERO C[C@H]([NH2+][C@H]1CO[C@@H](C2CC2)C1)c1ccc(Br)cc1O ZINC000858548635 1328793275 /nfs/dbraw/zinc/79/32/75/1328793275.db2.gz WITPVPAPXZXRCC-TURKWSHLSA-N 1 0 326.234 3.373 10 10 EGCERO C[C@H]([NH2+][C@H]1CO[C@H](C2CC2)C1)c1ccc(Br)cc1O ZINC000858548636 1328793351 /nfs/dbraw/zinc/79/33/51/1328793351.db2.gz WITPVPAPXZXRCC-UAKXVISKSA-N 1 0 326.234 3.373 10 10 EGCERO CCN(C)c1ccc([C@H](C)[NH2+][C@@H]2CCO[C@@H]2c2nc(C)no2)cc1 ZINC000858592277 1328803770 /nfs/dbraw/zinc/80/37/70/1328803770.db2.gz XLIOWVGDYOCKSP-VUCTXSBTSA-N 1 0 330.432 3.015 10 10 EGCERO COc1ccc(N2CCC[N@H+](Cc3cc(CO)ccc3F)CC2)cc1 ZINC000859086576 1328920141 /nfs/dbraw/zinc/92/01/41/1328920141.db2.gz KSWUOJRJLYDUHC-UHFFFAOYSA-N 1 0 344.430 3.039 10 10 EGCERO COc1ccc(N2CC[C@H]([NH2+]Cc3cc(C)cnc3Cl)C2)cc1 ZINC000922237409 1322485214 /nfs/dbraw/zinc/48/52/14/1322485214.db2.gz JXAGAUJTMFYVLZ-HNNXBMFYSA-N 1 0 331.847 3.421 10 10 EGCERO Cc1cnc(Cl)c(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)c1 ZINC000922262200 1322489132 /nfs/dbraw/zinc/48/91/32/1322489132.db2.gz FUWHQIBGKLNMLX-UHFFFAOYSA-N 1 0 345.874 3.294 10 10 EGCERO CC[C@H](C)[NH2+][C@@H](CNC(=O)NCc1c(O)cccc1F)c1ccco1 ZINC000922423671 1322526329 /nfs/dbraw/zinc/52/63/29/1322526329.db2.gz HNNPUTNHWDVFFN-WFASDCNBSA-N 1 0 349.406 3.053 10 10 EGCERO CN(C)c1cc(F)c(C[NH2+]C[C@H]2CC[C@H](C(F)(F)F)O2)cc1F ZINC000922454093 1322531202 /nfs/dbraw/zinc/53/12/02/1322531202.db2.gz BCGPHEFTMVWVFN-QMTHXVAHSA-N 1 0 338.320 3.230 10 10 EGCERO OC1CCN(c2ccc(C[NH2+][C@@H]3C[C@H]4C=C[C@@H]3CC4)cc2F)CC1 ZINC000924761460 1323149152 /nfs/dbraw/zinc/14/91/52/1323149152.db2.gz VGZPRGHTKMMAKP-ZSZQSSIHSA-N 1 0 330.447 3.231 10 10 EGCERO COc1ccc(N2CC[C@H](C[NH2+][C@H](C3CCC3)[C@H]3CCOC3)C2)cc1 ZINC000926610400 1327634932 /nfs/dbraw/zinc/63/49/32/1327634932.db2.gz CZGVBGJLJVUISX-PLMTUMEDSA-N 1 0 344.499 3.316 10 10 EGCERO COc1ccc(N2CC[C@@H]([NH2+][C@H](C)c3cc(O)cc(F)c3)C2)cc1 ZINC000926680449 1327662981 /nfs/dbraw/zinc/66/29/81/1327662981.db2.gz OLDAEPAZDVDFOO-CZUORRHYSA-N 1 0 330.403 3.469 10 10 EGCERO COc1ccc(N2CC[C@H]([NH2+][C@H](C3CC3)[C@H]3CCCOC3)C2)cc1 ZINC000926679126 1327663248 /nfs/dbraw/zinc/66/32/48/1327663248.db2.gz AZDYKZMDVSXBQX-ABSDTBQOSA-N 1 0 330.472 3.069 10 10 EGCERO COc1ccc(N2CC[C@H]([NH2+]C3CC4(C3)COC(C)(C)C4)C2)cc1 ZINC000926680677 1327663925 /nfs/dbraw/zinc/66/39/25/1327663925.db2.gz RDFSKYJIIMZOBF-SHPPYHEDSA-N 1 0 330.472 3.211 10 10 EGCERO COc1cccc([C@@H](C)[NH2+]Cc2cc(C(F)(F)F)nn2C)c1O ZINC000926928375 1327780880 /nfs/dbraw/zinc/78/08/80/1327780880.db2.gz ZATUNXPVKLENKX-SECBINFHSA-N 1 0 329.322 3.004 10 10 EGCERO Cc1cc(Cl)cc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)S3(=O)=O)c1O ZINC000927037908 1327826860 /nfs/dbraw/zinc/82/68/60/1327826860.db2.gz GQMKXYXCRNJZSC-NDNKKMJESA-N 1 0 343.876 3.113 10 10 EGCERO CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)S2(=O)=O)c1cc(Cl)ccc1O ZINC000927040000 1327827485 /nfs/dbraw/zinc/82/74/85/1327827485.db2.gz RUUBAXWAEIGZLN-VYHDIPPYSA-N 1 0 343.876 3.195 10 10 EGCERO Cc1ccc(O)c(C[NH2+]C[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)c1 ZINC000862478647 1329489529 /nfs/dbraw/zinc/48/95/29/1329489529.db2.gz KYGUCXLKWAWTPA-IBGZPJMESA-N 1 0 334.460 3.437 10 10 EGCERO CC[C@H](N[C@@H]1CC[C@H](C)[NH2+]C1)c1cc(Br)ccc1O ZINC000863547608 1329562473 /nfs/dbraw/zinc/56/24/73/1329562473.db2.gz QSARJPNHKHMSIM-SUHUHFCYSA-N 1 0 327.266 3.336 10 10 EGCERO c1cc(N2CCOCC2)ccc1C[NH2+]CC1([C@H]2CCCCO2)CCC1 ZINC000865727025 1329733237 /nfs/dbraw/zinc/73/32/37/1329733237.db2.gz NBLHUNCZSOXDKK-HXUWFJFHSA-N 1 0 344.499 3.352 10 10 EGCERO CC(=O)c1cc(F)cc(C[N@@H+]2CCCC[C@H]([C@@H]3CCOC3)C2)c1O ZINC000934836180 1330011090 /nfs/dbraw/zinc/01/10/90/1330011090.db2.gz NBAREISTUHGKKN-LSDHHAIUSA-N 1 0 335.419 3.373 10 10 EGCERO C[C@@H]([NH2+]CC[C@@H]1CCSC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000866403825 1330107298 /nfs/dbraw/zinc/10/72/98/1330107298.db2.gz WQHCPQRVEZISBW-HUUCEWRRSA-N 1 0 338.492 3.456 10 10 EGCERO C[C@@H]([NH2+][C@H]1C[C@H](S(=O)(=O)c2ccccc2)C1)c1cc(F)ccc1O ZINC000866516753 1330120865 /nfs/dbraw/zinc/12/08/65/1330120865.db2.gz HCNXEQNJJRBHLM-XNRPHZJLSA-N 1 0 349.427 3.187 10 10 EGCERO Cc1ccc(O)c([C@@H](C)[NH2+][C@H]2C[C@H](S(=O)(=O)c3ccccc3)C2)c1 ZINC000866518442 1330121433 /nfs/dbraw/zinc/12/14/33/1330121433.db2.gz ZKERMXQGYRZITN-BFYDXBDKSA-N 1 0 345.464 3.356 10 10 EGCERO CC(C)[NH+]1CCC(CCNC(=O)N[C@@H](C)c2ccccc2O)CC1 ZINC000868947906 1330380409 /nfs/dbraw/zinc/38/04/09/1330380409.db2.gz SLSUOLYTKQTMNQ-HNNXBMFYSA-N 1 0 333.476 3.263 10 10 EGCERO COc1ccc(C[NH2+]C[C@H](NC(=O)[C@H]2CC23CCC3)C2CC2)cc1C ZINC001323078497 1387284086 /nfs/dbraw/zinc/28/40/86/1387284086.db2.gz TVSIVHXIZSDKSA-MSOLQXFVSA-N 1 0 342.483 3.178 10 10 EGCERO COc1ccc(C[NH2+]C[C@@]2(C)CCN(C(=O)C=C3CCC3)C2)cc1C ZINC001324714225 1387748527 /nfs/dbraw/zinc/74/85/27/1387748527.db2.gz MMGUYZWRCAFYPC-OAQYLSRUSA-N 1 0 342.483 3.442 10 10 EGCERO COc1ccc(N2CC[NH+](C[C@@H]3CCCC(C)(C)O3)CC2)cc1F ZINC001192107444 1367689709 /nfs/dbraw/zinc/68/97/09/1367689709.db2.gz ICABEGVJFDVQDH-INIZCTEOSA-N 1 0 336.451 3.304 10 10 EGCERO CO[C@@H]1CC[C@@H]([NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC001116747638 1370965931 /nfs/dbraw/zinc/96/59/31/1370965931.db2.gz GCNYTMXGSTVOGP-HZPDHXFCSA-N 1 0 333.432 3.242 10 10 EGCERO CC/C(C)=C/C(=O)NCC1([NH2+]Cc2ccc(OC)c(C)c2)CCC1 ZINC001326817266 1388320684 /nfs/dbraw/zinc/32/06/84/1388320684.db2.gz RADYZJPGUGKKJG-RVDMUPIBSA-N 1 0 330.472 3.488 10 10 EGCERO COc1ccc(C[NH2+][C@@H](C)CCNC(=O)Cc2occc2C)cc1C ZINC001267146059 1377418039 /nfs/dbraw/zinc/41/80/39/1377418039.db2.gz VYGIQKPLZRVIQZ-INIZCTEOSA-N 1 0 344.455 3.132 10 10 EGCERO CC[N@@H+]1CCN(C(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)[C@@H](C)C1 ZINC001140510440 1378075925 /nfs/dbraw/zinc/07/59/25/1378075925.db2.gz PPAXBLRADUOODX-HNNXBMFYSA-N 1 0 343.446 3.399 10 10 EGCERO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CC[C@@H]2C[C@H](C)C[N@@H+]2C1 ZINC001142417313 1378441666 /nfs/dbraw/zinc/44/16/66/1378441666.db2.gz QEZICWYLMLQMPF-ILZDJORESA-N 1 0 343.515 3.222 10 10 EGCERO COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)c2occc2C)cc1C ZINC001283570392 1379026596 /nfs/dbraw/zinc/02/65/96/1379026596.db2.gz DMWBPDYCVGBYJP-HNNXBMFYSA-N 1 0 330.428 3.155 10 10 EGCERO Cc1cc(NC(=O)c2ccc(N=NC(N)=O)cc2)ccc1C[NH+](C)C ZINC001161399484 1382399768 /nfs/dbraw/zinc/39/97/68/1382399768.db2.gz MVVGAKBJBCPKRB-UHFFFAOYSA-N 1 0 339.399 3.471 10 10 EGCERO CCCOc1ccnc(NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)n1 ZINC001164318685 1383177288 /nfs/dbraw/zinc/17/72/88/1383177288.db2.gz XAPSKKPYBOHXQH-QGZVFWFLSA-N 1 0 343.475 3.046 10 10 EGCERO Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N[C@H]1C[N@@H+](C)CC1(C)C ZINC001303989987 1383819547 /nfs/dbraw/zinc/81/95/47/1383819547.db2.gz VHWDEZKXKFROBO-IBGZPJMESA-N 1 0 339.483 3.473 10 10 EGCERO CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@@H]2[C@H](O)c2ccccc2)c1O ZINC001307986851 1384068994 /nfs/dbraw/zinc/06/89/94/1384068994.db2.gz DBGWMFDVBNWADQ-UYAOXDASSA-N 1 0 343.398 3.432 10 10 EGCERO C[C@H]([NH2+]CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1O ZINC001308010416 1384074729 /nfs/dbraw/zinc/07/47/29/1384074729.db2.gz NDFYXNKKHAFUTQ-JTQLQIEISA-N 1 0 349.774 3.243 10 10 EGCERO CC[C@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)[NH2+]CCC(C)(C)C ZINC001318605948 1385790961 /nfs/dbraw/zinc/79/09/61/1385790961.db2.gz KSLFKSXQRZXVBF-CQSZACIVSA-N 1 0 347.463 3.383 10 10 EGCERO COc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]2CC23CCC3)cc1C ZINC001319541130 1386169946 /nfs/dbraw/zinc/16/99/46/1386169946.db2.gz QPUAAFWNDSUJGH-NVXWUHKLSA-N 1 0 330.472 3.130 10 10 EGCERO Cc1cc(C(=O)Nc2ccc3c[nH+]cn3c2)c(C)n1-c1ccccn1 ZINC001179303845 1386444657 /nfs/dbraw/zinc/44/46/57/1386444657.db2.gz JBLCMJAKSGWVBM-UHFFFAOYSA-N 1 0 331.379 3.389 10 10 EGCERO COc1ccc(C[NH2+]CC[C@@H](C)NC(=O)c2coc(C)c2)cc1C ZINC001320396446 1386598633 /nfs/dbraw/zinc/59/86/33/1386598633.db2.gz MSQVLUFPOFMXAW-CQSZACIVSA-N 1 0 330.428 3.203 10 10 EGCERO COc1ccc(C[NH2+]C[C@H](C2CC2)N(C)C(=O)CC(C)C)cc1C ZINC001331251187 1389667993 /nfs/dbraw/zinc/66/79/93/1389667993.db2.gz ABDLKPUXLMQHTN-GOSISDBHSA-N 1 0 332.488 3.376 10 10 EGCERO COC1CCC(C[NH2+]Cc2c(O)cccc2Br)CC1 ZINC001331272172 1389679168 /nfs/dbraw/zinc/67/91/68/1389679168.db2.gz OWSNHARRCOBKLX-UHFFFAOYSA-N 1 0 328.250 3.450 10 10 EGCERO COc1ccc(C[NH2+]C[C@@H](C)CNC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)cc1C ZINC001698746948 1406397680 /nfs/dbraw/zinc/39/76/80/1406397680.db2.gz RVAXBLHUCGMNNA-QKUWSGOFSA-N 1 0 344.499 3.282 10 10 EGCERO COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)C(C)(C)C2CC2)cc1C ZINC001331528217 1389784019 /nfs/dbraw/zinc/78/40/19/1389784019.db2.gz BTMYGSRQBUBFDG-HNNXBMFYSA-N 1 0 332.488 3.376 10 10 EGCERO C[C@@H]([NH2+]C[C@@](C)(O)C(F)(F)C(F)(F)F)c1ccc(N(C)C)cc1 ZINC001332924045 1390217628 /nfs/dbraw/zinc/21/76/28/1390217628.db2.gz VUPYTVZUDSDTLD-ZWNOBZJWSA-N 1 0 340.336 3.352 10 10 EGCERO COc1cc(Br)cc([C@H](C)[NH2+][C@H]2CC[C@H](OC)C2)c1O ZINC001332947334 1390221520 /nfs/dbraw/zinc/22/15/20/1390221520.db2.gz WVJVAHFWIVDMHU-DLOVCJGASA-N 1 0 344.249 3.381 10 10 EGCERO Oc1ccc(Br)cc1C[NH+]1CC(CC2CCOCC2)C1 ZINC001353606708 1392049343 /nfs/dbraw/zinc/04/93/43/1392049343.db2.gz SXIWFAWUSUDKOG-UHFFFAOYSA-N 1 0 340.261 3.403 10 10 EGCERO COc1ccc(C[NH2+][C@H]2C[C@@H](CNC(=O)C=C3CCC3)C2)cc1C ZINC001479288413 1392206100 /nfs/dbraw/zinc/20/61/00/1392206100.db2.gz QJUYISNDACFATG-HDICACEKSA-N 1 0 328.456 3.098 10 10 EGCERO COc1ccc(C[NH2+]CCN(C)C(=O)Cc2cccc(C)c2)cc1C ZINC001481273085 1393156070 /nfs/dbraw/zinc/15/60/70/1393156070.db2.gz MZJICNGSNVAJST-UHFFFAOYSA-N 1 0 340.467 3.103 10 10 EGCERO CCCC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001481510473 1394358687 /nfs/dbraw/zinc/35/86/87/1394358687.db2.gz WSEWZNKAGBCLFB-AWEZNQCLSA-N 1 0 345.447 3.043 10 10 EGCERO COc1ccc(C[NH2+]CC[C@@H]2CCCCN2C(=O)C(F)F)cc1C ZINC001482441259 1395001559 /nfs/dbraw/zinc/00/15/59/1395001559.db2.gz NQLHWJXXSJPIDT-HNNXBMFYSA-N 1 0 340.414 3.130 10 10 EGCERO COc1ccc(C[NH2+][C@H](CCNC(=O)[C@@H]2C[C@H]2C)C(C)C)cc1C ZINC001485788396 1396154023 /nfs/dbraw/zinc/15/40/23/1396154023.db2.gz VVLRFMMKPOFICY-ZTFGCOKTSA-N 1 0 332.488 3.280 10 10 EGCERO COc1ccc(C[NH2+]C2(CNC(=O)C=C3CCC3)CCC2)cc1C ZINC001501937022 1396197140 /nfs/dbraw/zinc/19/71/40/1396197140.db2.gz CRGZPJSBJAYSIP-UHFFFAOYSA-N 1 0 328.456 3.242 10 10 EGCERO COc1ccc(C[NH2+]C/C=C\CNC(=O)c2occc2Cl)cc1C ZINC001497672767 1396777675 /nfs/dbraw/zinc/77/76/75/1396777675.db2.gz VDVPNFNKNCGYLF-ARJAWSKDSA-N 1 0 348.830 3.326 10 10 EGCERO CCCc1occc1C(=O)N[C@@H](C)C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001699427134 1412743063 /nfs/dbraw/zinc/74/30/63/1412743063.db2.gz OMGVUPFDZREQMH-HNNXBMFYSA-N 1 0 344.455 3.457 10 10 EGCERO COc1ccc(C[NH2+]C[C@]2(C)CCN(C(=O)[C@@H]3CC34CC4)C2)cc1C ZINC001699848369 1413277342 /nfs/dbraw/zinc/27/73/42/1413277342.db2.gz PLSKMUFLYJVCCF-PXNSSMCTSA-N 1 0 342.483 3.132 10 10 EGCERO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)Cc2ccc(C)cc2)cc1C ZINC001732963175 1429087324 /nfs/dbraw/zinc/08/73/24/1429087324.db2.gz UPJJTEMWSWKENT-QGZVFWFLSA-N 1 0 340.467 3.149 10 10 EGCERO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)C2CCC(F)CC2)cc1C ZINC001732970593 1429095750 /nfs/dbraw/zinc/09/57/50/1429095750.db2.gz MOBMNKDGHZYFLD-ODIFPOPNSA-N 1 0 336.451 3.126 10 10 EGCERO CCC1(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(OC)c(C)c3)C2)CCC1 ZINC001713166837 1417740588 /nfs/dbraw/zinc/74/05/88/1417740588.db2.gz IFOHPCLPYPATIA-QAQDUYKDSA-N 1 0 330.472 3.321 10 10 EGCERO CCCC1(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(OC)c(C)c3)C2)CC1 ZINC001713200908 1417771073 /nfs/dbraw/zinc/77/10/73/1417771073.db2.gz CLXXZCPVMOYPIB-CALCHBBNSA-N 1 0 330.472 3.321 10 10 EGCERO COc1ccc(C[NH2+]CCN(C)C(=O)C2CCC=CCC2)cc1C ZINC001713665132 1418421864 /nfs/dbraw/zinc/42/18/64/1418421864.db2.gz UNSSYGJRWVMGDC-UHFFFAOYSA-N 1 0 330.472 3.298 10 10 EGCERO COc1ccc(C[NH2+]C[C@H](C)CNC(=O)C23CCC(CC2)C3)cc1C ZINC001714406404 1419147660 /nfs/dbraw/zinc/14/76/60/1419147660.db2.gz FUNNJYXTJWDTAV-NNDYNSRJSA-N 1 0 344.499 3.426 10 10 EGCERO C/C=C(/C)C(=O)NCC1([NH2+]Cc2ccc(OC)c(C)c2)CCCC1 ZINC001714488634 1419212368 /nfs/dbraw/zinc/21/23/68/1419212368.db2.gz NIZIXKBXJGXQIE-WCSRMQSCSA-N 1 0 330.472 3.488 10 10 EGCERO COc1ccc(C[NH2+]CCN(C)C(=O)C[C@@H]2CC=CCC2)cc1C ZINC001714745596 1419491315 /nfs/dbraw/zinc/49/13/15/1419491315.db2.gz KSVZJQRMIXNMEI-QGZVFWFLSA-N 1 0 330.472 3.298 10 10 EGCERO COc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)C2(F)CCCC2)cc1C ZINC001715337917 1420041893 /nfs/dbraw/zinc/04/18/93/1420041893.db2.gz JFBPMTNOEVPJDB-HNNXBMFYSA-N 1 0 336.451 3.222 10 10 EGCERO COc1ccc(C[NH2+]CC[C@H](C)NC(=O)/C=C\c2ccco2)cc1C ZINC001715617839 1420266689 /nfs/dbraw/zinc/26/66/89/1420266689.db2.gz GGOGOYPWXXUCBO-GQSKFBFOSA-N 1 0 342.439 3.294 10 10 EGCERO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)[C@@H]2CCC(C)(C)C2)cc1C ZINC001716411564 1420641619 /nfs/dbraw/zinc/64/16/19/1420641619.db2.gz PTAZDLBLELCPQU-NVXWUHKLSA-N 1 0 332.488 3.424 10 10 EGCERO COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)[C@@H](C)c2ccco2)cc1C ZINC001717740850 1421604356 /nfs/dbraw/zinc/60/43/56/1421604356.db2.gz HVYBARGKROKBJH-HOTGVXAUSA-N 1 0 344.455 3.337 10 10 EGCERO CCC[N@H+](C)CCN(C(=O)c1ccc(N=NC(N)=O)cc1)C(C)C ZINC001717952820 1421724278 /nfs/dbraw/zinc/72/42/78/1421724278.db2.gz PGVLUIZBXNAZPQ-UHFFFAOYSA-N 1 0 333.436 3.041 10 10 EGCERO CC(C)CCC[NH2+]C1(CNC(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC001723596042 1424483081 /nfs/dbraw/zinc/48/30/81/1424483081.db2.gz XVARBEYGYATFBH-UHFFFAOYSA-N 1 0 345.447 3.137 10 10 EGCERO CC(C)[NH2+][C@H](CCN(C)C(=O)c1ccc(N=NC(N)=O)cc1)C(C)C ZINC001734076994 1437864775 /nfs/dbraw/zinc/86/47/75/1437864775.db2.gz CNEYAMNOJHDWDC-MRXNPFEDSA-N 1 0 347.463 3.334 10 10 EGCERO CCOc1cccc(C[N@H+](C)[C@@H]2CCN(c3ccccc3)C2=O)c1O ZINC000093104490 454683591 /nfs/dbraw/zinc/68/35/91/454683591.db2.gz MVENIEFKQFNKTM-QGZVFWFLSA-N 1 0 340.423 3.028 10 10 EGCERO Oc1ccc(Br)cc1C[N@@H+]1CC[C@H](Oc2cccnc2)C1 ZINC000093690493 454729606 /nfs/dbraw/zinc/72/96/06/454729606.db2.gz NBYFCBVBXHHRIT-HNNXBMFYSA-N 1 0 349.228 3.203 10 10 EGCERO COc1ccc(N2CCC([NH2+]Cc3nccn3CC(C)C)CC2)cc1 ZINC000164800079 454889647 /nfs/dbraw/zinc/88/96/47/454889647.db2.gz IRVAMCWGCYMWOY-UHFFFAOYSA-N 1 0 342.487 3.306 10 10 EGCERO C[C@@H]([NH2+][C@@H]1CCC(=O)N(C)C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000152358928 455107051 /nfs/dbraw/zinc/10/70/51/455107051.db2.gz ZPRVVZKTVBEJQX-GDBMZVCRSA-N 1 0 333.451 3.087 10 10 EGCERO CC[C@H]([NH2+]C[C@@H]1C[C@H](O)CN1Cc1ccccc1)c1ccccc1O ZINC000156969288 455159315 /nfs/dbraw/zinc/15/93/15/455159315.db2.gz DNXXRWPHJRBGTL-BJLQDIEVSA-N 1 0 340.467 3.068 10 10 EGCERO Cc1cc(Cl)cc(C[NH+]2CCC(N3CCCCC3=O)CC2)c1O ZINC000180522783 455188777 /nfs/dbraw/zinc/18/87/77/455188777.db2.gz HEDJZSHBDMHNAU-UHFFFAOYSA-N 1 0 336.863 3.331 10 10 EGCERO CC(=O)c1cc(F)cc(CN2CCO[C@@H](c3cccs3)C2)c1O ZINC000157544621 455205920 /nfs/dbraw/zinc/20/59/20/455205920.db2.gz KSEVJXONZZSASU-OAHLLOKOSA-N 1 0 335.400 3.369 10 10 EGCERO COc1cc(O)c(C[N@@H+]2C[C@@H](C)O[C@H](c3ccccc3)C2)cc1OC ZINC000245512549 455318514 /nfs/dbraw/zinc/31/85/14/455318514.db2.gz AHFFZMCXDPDGFE-VLIAUNLRSA-N 1 0 343.423 3.371 10 10 EGCERO COc1cc(Cl)cc(C[N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)c1O ZINC000184696734 455430242 /nfs/dbraw/zinc/43/02/42/455430242.db2.gz IVDKAEBTTNANEG-CXAGYDPISA-N 1 0 325.836 3.181 10 10 EGCERO CCOC(=O)c1csc(CC[NH2+][C@@H](C)c2ccc(N(C)C)cc2)n1 ZINC000191560943 455497076 /nfs/dbraw/zinc/49/70/76/455497076.db2.gz CUQWCBZJNGZNKM-ZDUSSCGKSA-N 1 0 347.484 3.279 10 10 EGCERO CCN(CC)c1ccc(C[NH2+][C@@H](C)c2cc(OC)ccc2O)cn1 ZINC000185085242 455499330 /nfs/dbraw/zinc/49/93/30/455499330.db2.gz JKIPUBDCXAQALZ-AWEZNQCLSA-N 1 0 329.444 3.493 10 10 EGCERO CCN(C)c1ccc([C@@H](C)[NH2+][C@H]2CCCN(c3cccnn3)C2)cc1 ZINC000246494431 455501737 /nfs/dbraw/zinc/50/17/37/455501737.db2.gz SFVFMEXBOHQMDY-AEFFLSMTSA-N 1 0 339.487 3.252 10 10 EGCERO Cc1cc(O)c(C[NH2+][C@H]2CCN(Cc3ccc(F)cc3)C2=O)cc1C ZINC000191771096 455518196 /nfs/dbraw/zinc/51/81/96/455518196.db2.gz VGUAAEODYPKCGX-SFHVURJKSA-N 1 0 342.414 3.039 10 10 EGCERO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1CO)c1ccc(Br)cc1O ZINC000185507785 455570264 /nfs/dbraw/zinc/57/02/64/455570264.db2.gz HHEDYKSKSGAKBV-MISXGVKJSA-N 1 0 328.250 3.356 10 10 EGCERO CC(=O)c1cc(F)cc(C[NH2+][C@H](C)[C@H]2COc3ccccc32)c1O ZINC000185605395 455584180 /nfs/dbraw/zinc/58/41/80/455584180.db2.gz IENCFCDWNRBTHR-PIGZYNQJSA-N 1 0 329.371 3.388 10 10 EGCERO Cc1cc(C[C@@H](C)[NH2+][C@H](C)c2cc(Br)ccc2O)[nH]n1 ZINC000186130441 455699106 /nfs/dbraw/zinc/69/91/06/455699106.db2.gz OYIXOTVWKQHLHG-MWLCHTKSSA-N 1 0 338.249 3.468 10 10 EGCERO Cc1cc(Cl)cc(CN2CC[N@H+](C3CCOCC3)C[C@@H]2C)c1O ZINC000278632913 455843378 /nfs/dbraw/zinc/84/33/78/455843378.db2.gz KYUZSZXZSWCOGU-AWEZNQCLSA-N 1 0 338.879 3.039 10 10 EGCERO C[C@@H]1C[C@@H](C[NH2+]Cc2cc(Br)ccc2O)C[C@H](C)O1 ZINC000282174057 456432627 /nfs/dbraw/zinc/43/26/27/456432627.db2.gz JLTBQLIYQNCRIW-ZSBIGDGJSA-N 1 0 328.250 3.448 10 10 EGCERO COc1ccc(N2CCC([NH2+]C[C@](C)(O)CCC(C)C)CC2)cc1 ZINC000305196073 456536420 /nfs/dbraw/zinc/53/64/20/456536420.db2.gz ZJMUKRNIZKOQFD-HXUWFJFHSA-N 1 0 334.504 3.441 10 10 EGCERO Cc1cc(C)c([C@H](C)[NH2+]C[C@H]2CCC3(CCOCC3)[C@@H]2O)c(O)c1 ZINC000283729228 456831290 /nfs/dbraw/zinc/83/12/90/456831290.db2.gz BYXZLIHFWLMWQY-FRQCXROJSA-N 1 0 333.472 3.227 10 10 EGCERO CCOc1ccc(O)c(C[NH2+][C@@H]2CCc3cnn(C(C)C)c3C2)c1 ZINC000372772825 458331641 /nfs/dbraw/zinc/33/16/41/458331641.db2.gz NNFVLEGQIOHNIW-MRXNPFEDSA-N 1 0 329.444 3.215 10 10 EGCERO [O-]c1c(Br)cccc1C[NH2+]C[C@@H]1CCN1C1CCCC1 ZINC000527807143 459742910 /nfs/dbraw/zinc/74/29/10/459742910.db2.gz MUBNSNCMGBKHPY-AWEZNQCLSA-N 1 0 339.277 3.261 10 10 EGCERO C[C@@H]([NH2+]CC(=O)NCc1ccc(N(C)C)cc1)c1ccc(Cl)cc1 ZINC000072823630 1292294464 /nfs/dbraw/zinc/29/44/64/1292294464.db2.gz BPLPRMAOOMYMRO-CQSZACIVSA-N 1 0 345.874 3.373 10 10 EGCERO COc1cccc(C[N@@H+]2CCN(Cc3ccccc3)C[C@@H]2C)c1O ZINC000093325049 1292916948 /nfs/dbraw/zinc/91/69/48/1292916948.db2.gz NDGSSPDTJWPGAW-INIZCTEOSA-N 1 0 326.440 3.107 10 10 EGCERO CCOCC[NH+](CCOCC)Cc1cc(Br)ccc1O ZINC000211716617 1296105591 /nfs/dbraw/zinc/10/55/91/1296105591.db2.gz CNSXKUWFJCOQKQ-UHFFFAOYSA-N 1 0 346.265 3.030 10 10 EGCERO Oc1cc(OCc2ccccc2)ccc1CN1CC[N@@H+]2CCC[C@H]2C1 ZINC000248488612 1296415771 /nfs/dbraw/zinc/41/57/71/1296415771.db2.gz MMWBAVHZTADGDJ-IBGZPJMESA-N 1 0 338.451 3.251 10 10 EGCERO Cc1cc(CC[NH2+]Cc2cn3cccnc3n2)c(C)n1-c1ccccc1 ZINC000887568078 1303857513 /nfs/dbraw/zinc/85/75/13/1303857513.db2.gz ZSHDBVYHCUJKTM-UHFFFAOYSA-N 1 0 345.450 3.469 10 10 EGCERO CCc1[nH]c(C[NH2+]CCCSc2nccs2)cc1C(=O)OC ZINC000894305089 1306332672 /nfs/dbraw/zinc/33/26/72/1306332672.db2.gz TZPZFSJFIRGLFJ-UHFFFAOYSA-N 1 0 339.486 3.092 10 10 EGCERO COc1ccc(C[NH2+]Cc2cnc(Cl)s2)cc1Cn1cccn1 ZINC000895152793 1309214027 /nfs/dbraw/zinc/21/40/27/1309214027.db2.gz XLHHLNCTKDFNGG-UHFFFAOYSA-N 1 0 348.859 3.340 10 10 EGCERO Cc1cc(N(C)C)ccc1C[NH2+]Cc1ccnc(-c2ccccn2)n1 ZINC000895609229 1309428301 /nfs/dbraw/zinc/42/83/01/1309428301.db2.gz HXZQLLWLQMUECN-UHFFFAOYSA-N 1 0 333.439 3.203 10 10 EGCERO CC1([NH+]2CCC2)CCN(Cc2ccc(Br)cc2O)CC1 ZINC000895671762 1309458141 /nfs/dbraw/zinc/45/81/41/1309458141.db2.gz NYABOQCLJFUYSL-UHFFFAOYSA-N 1 0 339.277 3.215 10 10 EGCERO Cc1cc(O)c(C[NH2+]C[C@@H]2CC[C@]3(CO[C@H](C)C3)O2)cc1Cl ZINC000895817918 1309533038 /nfs/dbraw/zinc/53/30/38/1309533038.db2.gz MPTOOVMOTBMASE-IFIJOSMWSA-N 1 0 325.836 3.170 10 10 EGCERO Oc1cccc(Br)c1C[N@@H+]1CC[C@H]([C@@H]2CCCO2)C1 ZINC000895844123 1309552415 /nfs/dbraw/zinc/55/24/15/1309552415.db2.gz METVVMGFEQVVTF-NHYWBVRUSA-N 1 0 326.234 3.156 10 10 EGCERO O=c1ccc2c([nH]1)CCC[C@H]2[NH2+]Cc1c(O)cccc1Br ZINC000858116067 1328686414 /nfs/dbraw/zinc/68/64/14/1328686414.db2.gz REKFJNMSBQZSGJ-CYBMUJFWSA-N 1 0 349.228 3.423 10 10 EGCERO OCCOC1(C[NH2+]Cc2c(O)cccc2Cl)CCC(F)(F)CC1 ZINC000858236467 1328718665 /nfs/dbraw/zinc/71/86/65/1328718665.db2.gz NWWMRZMQAGOVSX-UHFFFAOYSA-N 1 0 349.805 3.092 10 10 EGCERO CC[C@H]([NH2+]CC(C)(C)C(=O)N1CCCC1)c1ccc(N(C)C)cc1 ZINC000858539959 1328791178 /nfs/dbraw/zinc/79/11/78/1328791178.db2.gz QVBCIOSOFPEXGK-SFHVURJKSA-N 1 0 331.504 3.442 10 10 EGCERO C[C@H]([NH2+][C@H]1CO[C@H](C2CC2)C1)c1cc(Br)ccc1O ZINC000858548943 1328792869 /nfs/dbraw/zinc/79/28/69/1328792869.db2.gz XOBIMQKRLPWXOU-UAKXVISKSA-N 1 0 326.234 3.373 10 10 EGCERO COc1ccc(N2CCC([NH2+][C@@H]3CC[C@H]4COCC[C@@H]4C3)CC2)cc1 ZINC000921653280 1322370870 /nfs/dbraw/zinc/37/08/70/1322370870.db2.gz AAPLUIQCINOOAK-ZIFCJYIRSA-N 1 0 344.499 3.459 10 10 EGCERO CN(C)c1ccc(/C=C\C[NH2+]CC[C@@H](N(C)C)C(F)(F)F)cc1 ZINC000922754993 1322610578 /nfs/dbraw/zinc/61/05/78/1322610578.db2.gz PSVLTQHYCZNTSL-OGZRUICASA-N 1 0 329.410 3.238 10 10 EGCERO COc1ccc(C[NH2+]C[C@@H]2[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)cc1C ZINC000922790564 1322618036 /nfs/dbraw/zinc/61/80/36/1322618036.db2.gz IZYVBOZKQNQPIG-OSYLJGHBSA-N 1 0 346.471 3.206 10 10 EGCERO COc1ccc(N2CCC([NH2+][C@@H](C3CC3)[C@H]3CCCOC3)CC2)cc1 ZINC000922898426 1322644454 /nfs/dbraw/zinc/64/44/54/1322644454.db2.gz VORUUFIJYFHQCR-UWJYYQICSA-N 1 0 344.499 3.459 10 10 EGCERO Fc1cc(C[NH2+][C@H]2CCOC23CCCCC3)ccc1N1CCOCC1 ZINC000924712243 1323126993 /nfs/dbraw/zinc/12/69/93/1323126993.db2.gz XSRQOHCYWBFJAT-IBGZPJMESA-N 1 0 348.462 3.244 10 10 EGCERO COC1CCN(c2ccc(C[NH2+][C@@H]3[C@H](C)O[C@H](C)[C@H]3C)cc2)CC1 ZINC000859829633 1329089997 /nfs/dbraw/zinc/08/99/97/1329089997.db2.gz GCBFDPWJWCUXOM-DICRZQGBSA-N 1 0 332.488 3.203 10 10 EGCERO C[C@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)c1cccc(C(F)(F)F)c1[O-] ZINC000925775285 1325295170 /nfs/dbraw/zinc/29/51/70/1325295170.db2.gz FKODTZAIMSVBDU-VHSXEESVSA-N 1 0 338.320 3.306 10 10 EGCERO COc1ccc(N2CC[C@H]([NH2+][C@@H](C)c3cc(O)cc(F)c3)C2)cc1 ZINC000926680447 1327662905 /nfs/dbraw/zinc/66/29/05/1327662905.db2.gz OLDAEPAZDVDFOO-BBRMVZONSA-N 1 0 330.403 3.469 10 10 EGCERO COc1ccc(N2CC[C@H]([NH2+][C@H](C)c3cc(OC)ccn3)C2)cc1 ZINC000926680231 1327663716 /nfs/dbraw/zinc/66/37/16/1327663716.db2.gz LBCZKFMDFQILGI-CABCVRRESA-N 1 0 327.428 3.028 10 10 EGCERO CCS(=O)(=O)c1ccccc1CC[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000926909326 1327770402 /nfs/dbraw/zinc/77/04/02/1327770402.db2.gz OGJBILZIIVLYKC-HNNXBMFYSA-N 1 0 347.480 3.388 10 10 EGCERO CC[C@@H]([NH2+]C[C@@H]1C[C@@H]2COC[C@@H]2O1)c1ccc(C(F)(F)F)cc1O ZINC000926944520 1327788125 /nfs/dbraw/zinc/78/81/25/1327788125.db2.gz PZQXBTAOBMHHNK-FTYZYXLQSA-N 1 0 345.361 3.256 10 10 EGCERO Cc1cc(Cl)cc([C@H](C)[NH2+]CC(C)(C)CS(C)(=O)=O)c1O ZINC000926954955 1327794563 /nfs/dbraw/zinc/79/45/63/1327794563.db2.gz JGNIWNWOIIXGOB-NSHDSACASA-N 1 0 333.881 3.075 10 10 EGCERO C[C@H]([NH2+]C[C@@H]1CCC2(CCOCC2)O1)c1ccc(Cl)cc1O ZINC000927012739 1327820462 /nfs/dbraw/zinc/82/04/62/1327820462.db2.gz BETGIUKAHXHPSB-JSGCOSHPSA-N 1 0 325.836 3.424 10 10 EGCERO CC[C@H]([NH2+]C[C@H]1CCN1C1CCOCC1)c1ccc(N(C)C)cc1 ZINC000927109943 1327871099 /nfs/dbraw/zinc/87/10/99/1327871099.db2.gz OSILEIGTWJDIES-UXHICEINSA-N 1 0 331.504 3.047 10 10 EGCERO CC[C@@H](N[C@@H]1CC[NH2+][C@H]1CC)c1cc(Br)ccc1O ZINC000863543182 1329561859 /nfs/dbraw/zinc/56/18/59/1329561859.db2.gz LQDYVOBMGBDIKX-HZSPNIEDSA-N 1 0 327.266 3.336 10 10 EGCERO CN(Cc1cccs1)c1ccc(C[NH2+]CC[C@@H](O)C(F)F)cc1 ZINC000865687528 1329729364 /nfs/dbraw/zinc/72/93/64/1329729364.db2.gz GZDYZXISOXDCSN-MRXNPFEDSA-N 1 0 340.439 3.490 10 10 EGCERO COc1cc(C[NH2+][C@H]2[C@@H]3OC[C@H]4C[C@H]2C[C@H]34)c(O)c(C(C)(C)C)c1 ZINC000865696880 1329730266 /nfs/dbraw/zinc/73/02/66/1329730266.db2.gz UVYMHEAZSZMDGX-PSVWOAEOSA-N 1 0 331.456 3.211 10 10 EGCERO c1cc(N2CCOCC2)ccc1C[N@@H+]1CCCC[C@@H]([C@H]2CCOC2)C1 ZINC000934830937 1330009955 /nfs/dbraw/zinc/00/99/55/1330009955.db2.gz HJVYJMCMUNYSBJ-UXHICEINSA-N 1 0 344.499 3.162 10 10 EGCERO c1cc(N2CCOCC2)ccc1C[N@@H+]1CCCC[C@H]([C@@H]2CCOC2)C1 ZINC000934830939 1330010083 /nfs/dbraw/zinc/01/00/83/1330010083.db2.gz HJVYJMCMUNYSBJ-VQTJNVASSA-N 1 0 344.499 3.162 10 10 EGCERO COc1ccc(N2CC[C@@H]([NH2+][C@@H]3[C@@H]4CCO[C@@H]4C34CCCC4)C2)cc1 ZINC000866385662 1330104868 /nfs/dbraw/zinc/10/48/68/1330104868.db2.gz OVNDBWYVPZUGHF-NMLACTOBSA-N 1 0 342.483 3.211 10 10 EGCERO C[C@H]([NH2+]CC[C@@H]1CCSC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000866403826 1330107403 /nfs/dbraw/zinc/10/74/03/1330107403.db2.gz WQHCPQRVEZISBW-LSDHHAIUSA-N 1 0 338.492 3.456 10 10 EGCERO Cc1ccc([C@@H](C)[NH2+]C2CCN(CC(=O)OC(C)(C)C)CC2)c(O)c1 ZINC000866527045 1330121615 /nfs/dbraw/zinc/12/16/15/1330121615.db2.gz SYNZVPXFTPKYRU-OAHLLOKOSA-N 1 0 348.487 3.157 10 10 EGCERO Cc1ccc(O)c([C@H](C)[NH2+]C2CCN(CC(=O)OC(C)(C)C)CC2)c1 ZINC000866527460 1330121976 /nfs/dbraw/zinc/12/19/76/1330121976.db2.gz ZJADMSHKHOVWDT-HNNXBMFYSA-N 1 0 348.487 3.157 10 10 EGCERO C[C@H]([NH2+]C[C@@H]1CC2(CO1)CCOCC2)c1ccc(Cl)cc1O ZINC000866533331 1330123032 /nfs/dbraw/zinc/12/30/32/1330123032.db2.gz PUFDEASBHFQAAV-JSGCOSHPSA-N 1 0 325.836 3.282 10 10 EGCERO CCCC1(C(=O)NCC2([NH2+]Cc3ccc(OC)c(C)c3)CC2)CC1 ZINC001323542111 1387384588 /nfs/dbraw/zinc/38/45/88/1387384588.db2.gz YWZMKHBILFOVML-UHFFFAOYSA-N 1 0 330.472 3.322 10 10 EGCERO CC(C)(C)c1cc(C[NH2+]CCOCCCO)c(O)c(C(C)(C)C)c1 ZINC001323561355 1387390375 /nfs/dbraw/zinc/39/03/75/1387390375.db2.gz TZTJNDUEDLLVRZ-UHFFFAOYSA-N 1 0 337.504 3.476 10 10 EGCERO CN(C)c1ccc([C@@H](CNC(=O)[C@H]2CCCC3(CC3)C2)[NH+](C)C)cc1 ZINC001134686157 1376658199 /nfs/dbraw/zinc/65/81/99/1376658199.db2.gz BMQLKYPNVZZIHB-PKOBYXMFSA-N 1 0 343.515 3.442 10 10 EGCERO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001136429109 1377391893 /nfs/dbraw/zinc/39/18/93/1377391893.db2.gz ZZVAKUCDOCEJOJ-UHFFFAOYSA-N 1 0 331.504 3.366 10 10 EGCERO CC1CCN(c2ccc(CNC(=O)[C@H]3CC[N@@H+]3C(C)(C)C)cc2)CC1 ZINC001136705240 1377416458 /nfs/dbraw/zinc/41/64/58/1377416458.db2.gz GHMSOMUICDPWPW-LJQANCHMSA-N 1 0 343.515 3.412 10 10 EGCERO CC/C=C\CC[N@H+](C)CCN(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001268260829 1377503433 /nfs/dbraw/zinc/50/34/33/1377503433.db2.gz ZXXANROIKJJQAH-OAZBICHTSA-N 1 0 345.447 3.209 10 10 EGCERO COc1ccc(C[NH2+]CCCN(C)C(=O)Cc2ccc(C)o2)cc1C ZINC001268788648 1377528350 /nfs/dbraw/zinc/52/83/50/1377528350.db2.gz NNZONOMYJNPJDB-UHFFFAOYSA-N 1 0 344.455 3.086 10 10 EGCERO COc1ccc(C[NH2+]CCC[C@@H](C)NC(=O)[C@H]2C[C@H]3C[C@H]3C2)cc1C ZINC001283223322 1378765230 /nfs/dbraw/zinc/76/52/30/1378765230.db2.gz ZNXBQNDHLVAJRU-YSHGAJCASA-N 1 0 344.499 3.424 10 10 EGCERO Oc1cc(Br)ccc1C[NH2+][C@@H](C1CC1)C1CCOCC1 ZINC001327839591 1388604133 /nfs/dbraw/zinc/60/41/33/1388604133.db2.gz IELOFLLHKCRPOI-INIZCTEOSA-N 1 0 340.261 3.450 10 10 EGCERO CC[C@H]1CCC[C@]1(C)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001288334090 1381782616 /nfs/dbraw/zinc/78/26/16/1381782616.db2.gz BTWSDSVFSMPJAH-RXVVDRJESA-N 1 0 343.515 3.271 10 10 EGCERO COc1ccc(C[NH2+][C@H](CNC(=O)[C@@]2(C)C=CCC2)C2CC2)cc1C ZINC001317026079 1384792784 /nfs/dbraw/zinc/79/27/84/1384792784.db2.gz LDGKLRUOGFOEKR-NQIIRXRSSA-N 1 0 342.483 3.344 10 10 EGCERO Cc1cc(C[N@@H+]2CC[C@@]3(CCOC3=O)C2)ccc1N1CCCCC1 ZINC001177000662 1385770667 /nfs/dbraw/zinc/77/06/67/1385770667.db2.gz AOAIWXJGKBKXOK-HXUWFJFHSA-N 1 0 328.456 3.124 10 10 EGCERO CCC1(C(=O)NC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C(C)C)CC1 ZINC001319943819 1386406660 /nfs/dbraw/zinc/40/66/60/1386406660.db2.gz LXRSTSCIDDJOHA-KRWDZBQOSA-N 1 0 332.488 3.424 10 10 EGCERO CC[C@@H](C)CC(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001330586976 1389462315 /nfs/dbraw/zinc/46/23/15/1389462315.db2.gz IEDCGLUSPZLXKR-ZTFGCOKTSA-N 1 0 332.488 3.424 10 10 EGCERO COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)C(C2CC2)C2CC2)cc1C ZINC001331617433 1389831257 /nfs/dbraw/zinc/83/12/57/1389831257.db2.gz UCGJFONVJRYFEB-HNNXBMFYSA-N 1 0 344.499 3.376 10 10 EGCERO CCCCC[NH2+]C1CC(N(C)C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001333150335 1390256754 /nfs/dbraw/zinc/25/67/54/1390256754.db2.gz GDPXQISQOPBZAG-UHFFFAOYSA-N 1 0 345.447 3.232 10 10 EGCERO C[C@H](NC(=O)[C@@H]1CC[C@H]2C[C@@H](C)C[N@@H+]2C1)c1ccc(N(C)C)cc1 ZINC001346765258 1390978154 /nfs/dbraw/zinc/97/81/54/1390978154.db2.gz VCQPGEZOSSIJGJ-GFIVTLFCSA-N 1 0 329.488 3.050 10 10 EGCERO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+][C@@H]1Cc2ccccc2N(C)C1=O ZINC001346870610 1390983647 /nfs/dbraw/zinc/98/36/47/1390983647.db2.gz YURAZAZGPNFQIZ-FVQBIDKESA-N 1 0 336.435 3.426 10 10 EGCERO COc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)C(C)(C)C)C2)cc1C ZINC001479489872 1392255667 /nfs/dbraw/zinc/25/56/67/1392255667.db2.gz VEVQEBCBBDOAKN-DLBZAZTESA-N 1 0 332.488 3.424 10 10 EGCERO CCN(C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C)C1CCCC1 ZINC001479534306 1392272337 /nfs/dbraw/zinc/27/23/37/1392272337.db2.gz MVLIZYAPRARDGL-IBGZPJMESA-N 1 0 346.519 3.329 10 10 EGCERO COc1ccc(C[NH2+][C@@H](C)CCNC(=O)c2ccsc2)cc1C ZINC001480747843 1392911819 /nfs/dbraw/zinc/91/18/19/1392911819.db2.gz ULAGEWZODKGREK-AWEZNQCLSA-N 1 0 332.469 3.363 10 10 EGCERO COc1ccc(C[NH2+]CCN(C)C(=O)c2ccc(F)cc2F)cc1C ZINC001481310336 1393161880 /nfs/dbraw/zinc/16/18/80/1393161880.db2.gz PHVLWTYZBPVFCI-UHFFFAOYSA-N 1 0 348.393 3.144 10 10 EGCERO CC[C@H](F)C(=O)N[C@@](C)(C[NH2+]Cc1ccc(OC)c(C)c1)C1CC1 ZINC001481937661 1394604856 /nfs/dbraw/zinc/60/48/56/1394604856.db2.gz QHJXPMNTUDMXTA-LPHOPBHVSA-N 1 0 336.451 3.126 10 10 EGCERO COc1ccc(C[NH2+]C2(CNC(=O)[C@H]3C[C@H]3C)CCCC2)cc1C ZINC001482208840 1394802511 /nfs/dbraw/zinc/80/25/11/1394802511.db2.gz QLTYTRJJQSSZNY-PBHICJAKSA-N 1 0 330.472 3.178 10 10 EGCERO CN(CCC[N@H+](C)CC1CCC1)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001484769321 1395525331 /nfs/dbraw/zinc/52/53/31/1395525331.db2.gz CRKVNWNCMIHCNN-UHFFFAOYSA-N 1 0 345.447 3.043 10 10 EGCERO C/C=C(\C)C(=O)N1CC[C@@](C)(C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001500335923 1396186761 /nfs/dbraw/zinc/18/67/61/1396186761.db2.gz XSJVEUVEQLMQJR-DIKFHFTNSA-N 1 0 330.472 3.298 10 10 EGCERO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NC[C@H]1CCCC[N@@H+]1C ZINC001687776660 1396490068 /nfs/dbraw/zinc/49/00/68/1396490068.db2.gz QCLVTOCCMXHTGN-LJQANCHMSA-N 1 0 346.519 3.157 10 10 EGCERO CC(C)(C)CC[NH2+][C@H]1C[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001690370074 1404500263 /nfs/dbraw/zinc/50/02/63/1404500263.db2.gz JMFXTYJSNOIPOB-GASCZTMLSA-N 1 0 345.447 3.136 10 10 EGCERO COc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)c2ccccc2)cc1C ZINC001732456653 1428590103 /nfs/dbraw/zinc/59/01/03/1428590103.db2.gz WVVCUHZCNHFNTP-INIZCTEOSA-N 1 0 326.440 3.254 10 10 EGCERO CCN(CC[NH2+]Cc1ccc(OC)c(C)c1)C(=O)[C@@H]1CC[C@H]2C[C@H]2C1 ZINC001699189901 1412562852 /nfs/dbraw/zinc/56/28/52/1412562852.db2.gz IOSDTBADYOSOEV-OTWHNJEPSA-N 1 0 344.499 3.378 10 10 EGCERO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)c2ncoc2C(C)C)cc1C ZINC001699384639 1412694293 /nfs/dbraw/zinc/69/42/93/1412694293.db2.gz IYWXJKWRXOZBFQ-CQSZACIVSA-N 1 0 345.443 3.023 10 10 EGCERO COc1ccc(C[NH2+]CC[C@H]2CCN(C(=O)C3CCC3)C2)cc1C ZINC001700046592 1413470872 /nfs/dbraw/zinc/47/08/72/1413470872.db2.gz OAQATZFUSUFNNF-INIZCTEOSA-N 1 0 330.472 3.132 10 10 EGCERO CC[C@H](F)C(=O)N1CC[C@@H](CC[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001700074158 1413488286 /nfs/dbraw/zinc/48/82/86/1413488286.db2.gz GGCXXVFAXLBFQA-WBVHZDCISA-N 1 0 336.451 3.080 10 10 EGCERO COc1ccc(C[NH2+][C@@H](C)[C@H](C)NC(=O)C2(C)CC=CC2)cc1C ZINC001700423287 1413974967 /nfs/dbraw/zinc/97/49/67/1413974967.db2.gz VXMNNMLMEFULTG-HOTGVXAUSA-N 1 0 330.472 3.343 10 10 EGCERO CCN(CC[NH2+]Cc1ccc(OC)c(C)c1)C(=O)[C@@H]1CCC1(C)C ZINC001732791548 1428972982 /nfs/dbraw/zinc/97/29/82/1428972982.db2.gz PQKCOPMXTLBYGC-KRWDZBQOSA-N 1 0 332.488 3.378 10 10 EGCERO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)[C@H]2CCCC23CC3)cc1C ZINC001732960191 1429083382 /nfs/dbraw/zinc/08/33/82/1429083382.db2.gz NIFZIYPQMLSWOL-NVXWUHKLSA-N 1 0 330.472 3.178 10 10 EGCERO C=CC(C)(C)C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001707074977 1417186103 /nfs/dbraw/zinc/18/61/03/1417186103.db2.gz XEOUXUPKWLIMJU-CALCHBBNSA-N 1 0 330.472 3.200 10 10 EGCERO COc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)[C@]2(C)C=CCC2)cc1C ZINC001715350447 1420051336 /nfs/dbraw/zinc/05/13/36/1420051336.db2.gz CATNUIWFOYNZSU-OXQOHEQNSA-N 1 0 330.472 3.296 10 10 EGCERO COc1ccc(C[NH2+][C@H](CNC(=O)CC(F)(F)F)C(C)C)cc1C ZINC001715529775 1420220312 /nfs/dbraw/zinc/22/03/12/1420220312.db2.gz UKRQBIMDFGWCFW-CQSZACIVSA-N 1 0 346.393 3.186 10 10 EGCERO COc1ccc(C[NH2+]C/C=C/CNC(=O)c2cccc(F)c2)cc1C ZINC001715781174 1420341800 /nfs/dbraw/zinc/34/18/00/1420341800.db2.gz IZGFFIVRNVDECU-ONEGZZNKSA-N 1 0 342.414 3.219 10 10 EGCERO CC(C)C[C@H](C)C[NH2+]C[C@@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001715965224 1420430724 /nfs/dbraw/zinc/43/07/24/1420430724.db2.gz QDAJHTRBHDLLSR-UONOGXRCSA-N 1 0 347.463 3.239 10 10 EGCERO COc1ccc(C[NH2+]CC[C@@H](C)NC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)cc1C ZINC001716128819 1420535934 /nfs/dbraw/zinc/53/59/34/1420535934.db2.gz QEDGMJDXQZTOOJ-LBKNJMOBSA-N 1 0 344.499 3.424 10 10 EGCERO COc1ccc(C[NH2+][C@H](CNC(=O)C[C@H]2C=CCC2)C2CC2)cc1C ZINC001731397896 1427356447 /nfs/dbraw/zinc/35/64/47/1427356447.db2.gz ZEAWVVHDFLZXDK-QFBILLFUSA-N 1 0 342.483 3.344 10 10 EGCERO COc1ccc(C[NH2+][C@H]2CCC[C@H](NC(=O)C=C(C)C)C2)cc1C ZINC001731687115 1427734758 /nfs/dbraw/zinc/73/47/58/1427734758.db2.gz XCTDLJOWKOALOV-ROUUACIJSA-N 1 0 330.472 3.487 10 10 EGCERO CCOc1cc(C[NH2+]Cc2cc(Br)ccc2O)ccn1 ZINC000072230528 216070632 /nfs/dbraw/zinc/07/06/32/216070632.db2.gz BMJBHWWSAFAHRC-UHFFFAOYSA-N 1 0 337.217 3.238 10 10 EGCERO Cc1ccsc1C[NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000054179224 132190176 /nfs/dbraw/zinc/19/01/76/132190176.db2.gz MAPQVCALBZZBLP-INIZCTEOSA-N 1 0 343.496 3.048 10 10 EGCERO COc1cc(Br)cc(C[NH2+][C@H]2[C@@H](C)[C@H](C)O[C@H]2C)c1O ZINC000527806609 312946055 /nfs/dbraw/zinc/94/60/55/312946055.db2.gz YGENNFZAJLBUQV-QSDJMHMYSA-N 1 0 344.249 3.065 10 10 EGCERO COc1ccc(O)c(C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2ccccc2)c1 ZINC000245654149 455349260 /nfs/dbraw/zinc/34/92/60/455349260.db2.gz IJEHCCOOSZPCJL-YLJYHZDGSA-N 1 0 327.424 3.489 10 10 EGCERO NC(=O)[C@@H]1Cc2ccccc2CN1Cc1ccc(N2CCCCC2)cc1 ZINC000119755712 454217936 /nfs/dbraw/zinc/21/79/36/454217936.db2.gz ICYNKAANBDSIFO-NRFANRHFSA-N 1 0 349.478 3.089 10 10 EGCERO Cn1cc(C[NH2+]Cc2ccc(N3CCCC3)cc2)c(-c2ccncc2)n1 ZINC000097159944 454418160 /nfs/dbraw/zinc/41/81/60/454418160.db2.gz GEQISCKLTZSDBC-UHFFFAOYSA-N 1 0 347.466 3.372 10 10 EGCERO O=C1C[C@H](c2ccccc2)[N@H+](Cc2cc(Cl)ccc2O)CCN1 ZINC000092075722 454518206 /nfs/dbraw/zinc/51/82/06/454518206.db2.gz MYOXKTCRFBNTGN-MRXNPFEDSA-N 1 0 330.815 3.109 10 10 EGCERO CN1C(=O)C[C@@H]([NH2+]Cc2ccccc2O)[C@H]1c1ccc(Cl)cc1 ZINC000125254119 454807823 /nfs/dbraw/zinc/80/78/23/454807823.db2.gz CQIASLWFZPWTKI-CRAIPNDOSA-N 1 0 330.815 3.107 10 10 EGCERO CC[C@@H]([NH2+][C@H]1CCCN(c2ncccn2)C1)c1ccc(N(C)C)cc1 ZINC000178193026 454942777 /nfs/dbraw/zinc/94/27/77/454942777.db2.gz NPDSPNASXPEENB-PKOBYXMFSA-N 1 0 339.487 3.252 10 10 EGCERO Cc1cc(O)c(C[NH2+]C2CCN(C(=O)c3ccccc3)CC2)cc1C ZINC000174251211 455374220 /nfs/dbraw/zinc/37/42/20/455374220.db2.gz FCDSJEZAPDLWOE-UHFFFAOYSA-N 1 0 338.451 3.403 10 10 EGCERO Cc1cc(Cl)cc(CN2CCSC[C@H]2c2cnn(C)c2)c1O ZINC000191734994 455515789 /nfs/dbraw/zinc/51/57/89/455515789.db2.gz MSZGEUNJNQAABE-HNNXBMFYSA-N 1 0 337.876 3.378 10 10 EGCERO C[C@H]([NH2+][C@@H]1CCC[C@@H]2OCC[C@H]21)c1ccc(N2CCOCC2)c(F)c1 ZINC000246997303 455541694 /nfs/dbraw/zinc/54/16/94/455541694.db2.gz JRINUTZWQQUSCK-LLYILUEJSA-N 1 0 348.462 3.271 10 10 EGCERO C[C@@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)c1ccc(F)cc1[O-] ZINC000185573398 455579496 /nfs/dbraw/zinc/57/94/96/455579496.db2.gz YDQZHNHSTZCZPE-MRXNPFEDSA-N 1 0 349.494 3.132 10 10 EGCERO COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCN(c3ncccc3Cl)C2)c1 ZINC000185718524 455604665 /nfs/dbraw/zinc/60/46/65/455604665.db2.gz CLQVMGMRXQLNRW-CHWSQXEVSA-N 1 0 347.846 3.379 10 10 EGCERO Cc1cc(C[C@@H](C)[NH2+][C@@H](C)c2cc(Br)ccc2O)[nH]n1 ZINC000186130409 455698909 /nfs/dbraw/zinc/69/89/09/455698909.db2.gz OYIXOTVWKQHLHG-KOLCDFICSA-N 1 0 338.249 3.468 10 10 EGCERO Cc1ccccc1[C@H](O)C[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000268851421 455715756 /nfs/dbraw/zinc/71/57/56/455715756.db2.gz CIJIWBFHPMMMNJ-DYESRHJHSA-N 1 0 340.467 3.216 10 10 EGCERO Cc1cc(N2CCC[C@H]([NH2+][C@@H](C)c3c(C)cc(C)cc3O)C2)n(C)n1 ZINC000285279134 455817016 /nfs/dbraw/zinc/81/70/16/455817016.db2.gz REKGFWUWVIBCSG-IRXDYDNUSA-N 1 0 342.487 3.371 10 10 EGCERO Cc1cc(N2CCC[C@@H]([NH2+][C@@H](C)c3cc(C)ccc3O)C2)n(C)n1 ZINC000278467395 455836640 /nfs/dbraw/zinc/83/66/40/455836640.db2.gz NHRULWKCQSEWBC-JKSUJKDBSA-N 1 0 328.460 3.062 10 10 EGCERO OC[C@H]([NH2+][C@@H]1CCc2cccc(O)c21)c1cccc(Br)c1 ZINC000296234170 455887964 /nfs/dbraw/zinc/88/79/64/455887964.db2.gz APDUOQYHHDZLMO-CABCVRRESA-N 1 0 348.240 3.465 10 10 EGCERO C[C@]12C[C@H]1CCC[C@H]2[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000282060514 456403072 /nfs/dbraw/zinc/40/30/72/456403072.db2.gz GTJZAMKFNKENRW-YSGRDPCXSA-N 1 0 332.463 3.455 10 10 EGCERO COC1(C[C@@H](C)[NH2+]Cc2ccc(N3CCC(CO)CC3)cc2)CCC1 ZINC000277087056 456676138 /nfs/dbraw/zinc/67/61/38/456676138.db2.gz KEYNSDSJPFSIFS-QGZVFWFLSA-N 1 0 346.515 3.333 10 10 EGCERO C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]Cc1cc(F)ccc1O ZINC000277414933 456817031 /nfs/dbraw/zinc/81/70/31/456817031.db2.gz IPIYQFTWJAVAEF-DOMZBBRYSA-N 1 0 338.423 3.266 10 10 EGCERO COc1ccc(NC(=O)[C@H]2CCC[N@@H+]2Cc2cccc(C)c2O)cc1 ZINC000378444399 457397227 /nfs/dbraw/zinc/39/72/27/457397227.db2.gz WRQIVZTZYSBNIB-GOSISDBHSA-N 1 0 340.423 3.312 10 10 EGCERO Cc1cc(Cl)cc(C[N@H+]2CCC[C@@H]2C[C@@H](O)c2cnn(C)c2)c1O ZINC000378440687 457397979 /nfs/dbraw/zinc/39/79/79/457397979.db2.gz DHJMDLLYHISPTA-IAGOWNOFSA-N 1 0 349.862 3.176 10 10 EGCERO CC(=O)c1cc(F)cc(C[NH2+][C@H]2CCN(C)[C@@H]2c2ccccc2)c1O ZINC000375063147 457776773 /nfs/dbraw/zinc/77/67/73/457776773.db2.gz CKRGRMASQOLXCD-RBUKOAKNSA-N 1 0 342.414 3.269 10 10 EGCERO C[C@@H]1CN(Cc2c([O-])ccc(Cl)c2F)C[C@@]2(CCO[C@H](C)C2)O1 ZINC000366808223 457901654 /nfs/dbraw/zinc/90/16/54/457901654.db2.gz IPXYHXSOCFMIOQ-QFSBIZTOSA-N 1 0 343.826 3.343 10 10 EGCERO Cc1cc(Cl)cc(CN2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c1O ZINC000367753761 457979426 /nfs/dbraw/zinc/97/94/26/457979426.db2.gz LCPJBGUFXJPFSQ-IXDOHACOSA-N 1 0 338.879 3.038 10 10 EGCERO c1cc(N2CCOCC2)ccc1C[N@@H+]1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000368217657 458020432 /nfs/dbraw/zinc/02/04/32/458020432.db2.gz ZQJDWSWSLKEGCL-UXHICEINSA-N 1 0 342.483 3.057 10 10 EGCERO CC(=O)c1cc(F)cc(C[NH+]2CCC(c3nccc(C)n3)CC2)c1O ZINC000371823989 458088746 /nfs/dbraw/zinc/08/87/46/458088746.db2.gz UCKHJRUFEUQGAN-UHFFFAOYSA-N 1 0 343.402 3.212 10 10 EGCERO CCOc1ccc(C[NH2+]C[C@@]2(C)COc3ccccc3O2)c(O)c1 ZINC000527732810 459717768 /nfs/dbraw/zinc/71/77/68/459717768.db2.gz CNFZXAFMXLJRDU-IBGZPJMESA-N 1 0 329.396 3.111 10 10 EGCERO CCOc1ccc(O)c(C[NH2+]C[C@H](OC)c2cccc(OC)c2)c1 ZINC000527734429 459719076 /nfs/dbraw/zinc/71/90/76/459719076.db2.gz HGHJLWDVCYUVCL-IBGZPJMESA-N 1 0 331.412 3.277 10 10 EGCERO COCCn1c(C)c(C)c2cc(C(=O)NCC[C@@H]([NH3+])C(C)C)ccc21 ZINC000662925751 461413361 /nfs/dbraw/zinc/41/33/61/461413361.db2.gz LELNDJNVNIUYNH-GOSISDBHSA-N 1 0 345.487 3.008 10 10 EGCERO COc1cc(O)c(C[N@@H+]2Cc3ccccc3C3(CC3)C2)cc1OC ZINC000185153317 547115575 /nfs/dbraw/zinc/11/55/75/547115575.db2.gz LKCRBFUNQDNPSU-UHFFFAOYSA-N 1 0 325.408 3.457 10 10 EGCERO CC[C@@H]1CCCCC[N@@H+]1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000740423316 574725915 /nfs/dbraw/zinc/72/59/15/574725915.db2.gz GKTLVHMXYHGEKJ-GOSISDBHSA-N 1 0 331.504 3.366 10 10 EGCERO CC[C@@H]1C[N@H+](Cc2c(O)c(C(=O)OC)cc3ccccc32)C[C@H](C)O1 ZINC000732186150 575242755 /nfs/dbraw/zinc/24/27/55/575242755.db2.gz YIXDSXSSNGFEAY-DZGCQCFKSA-N 1 0 343.423 3.331 10 10 EGCERO CC(C)N1C(=O)C[N@H+](Cc2c(O)ccc3ccccc32)CC1(C)C ZINC000743379202 576807534 /nfs/dbraw/zinc/80/75/34/576807534.db2.gz WHYZRFBULDUMPN-UHFFFAOYSA-N 1 0 326.440 3.377 10 10 EGCERO C[N@@H+](Cc1cc(Cl)cc(Br)c1[O-])C[C@H]1CCC[NH2+]C1 ZINC000708098547 1298234966 /nfs/dbraw/zinc/23/49/66/1298234966.db2.gz JULMRLAEYPNQFB-JTQLQIEISA-N 1 0 347.684 3.240 10 10 EGCERO COc1cc(O)c(C[N@H+](Cc2ccccc2)CC(C)(C)O)cc1OC ZINC000181147709 1294942695 /nfs/dbraw/zinc/94/26/95/1294942695.db2.gz LWXSKLOFJVAWHS-UHFFFAOYSA-N 1 0 345.439 3.183 10 10 EGCERO CC1CCN(c2ccc(CNC(=O)CCC34CC(C3)C[NH2+]4)cc2)CC1 ZINC000870883848 1296130165 /nfs/dbraw/zinc/13/01/65/1296130165.db2.gz JWYKYOBRAPYIME-UHFFFAOYSA-N 1 0 341.499 3.071 10 10 EGCERO C[C@@H]([NH2+]CCC[C@H]1CCOC1=O)c1ccc(Br)cc1O ZINC000872114493 1296739929 /nfs/dbraw/zinc/73/99/29/1296739929.db2.gz WSFVCMUWZQKQAW-MNOVXSKESA-N 1 0 342.233 3.149 10 10 EGCERO CC(C)(C)[NH+]1CCN(Cc2c(O)cccc2Br)CC1 ZINC000707129333 1298225777 /nfs/dbraw/zinc/22/57/77/1298225777.db2.gz FRMRWCZPZIRJNI-UHFFFAOYSA-N 1 0 327.266 3.071 10 10 EGCERO COC(=O)c1c(C[NH2+]CC2(SC)CC2)c2cc(F)ccc2n1C ZINC000894589985 1308967570 /nfs/dbraw/zinc/96/75/70/1308967570.db2.gz PEHXUSQKPOYNOU-UHFFFAOYSA-N 1 0 336.432 3.089 10 10 EGCERO COC(=O)c1c(C[NH2+]CC[C@@H]2CCCOC2)c2cc(F)ccc2n1C ZINC000895390428 1309314109 /nfs/dbraw/zinc/31/41/09/1309314109.db2.gz TZUKZBPDRGEGPR-ZDUSSCGKSA-N 1 0 348.418 3.010 10 10 EGCERO [O-]c1c(F)cc(F)cc1C[N@H+]1Cc2cccnc2N2CCC[C@@H]2C1 ZINC000895454035 1309345662 /nfs/dbraw/zinc/34/56/62/1309345662.db2.gz HMUQRPOHYZCOQH-OAHLLOKOSA-N 1 0 331.366 3.050 10 10 EGCERO CC(C)(C)[NH+]1CCC(NC(=O)c2cc3cc(O)c(O)cc3s2)CC1 ZINC000895800106 1309526026 /nfs/dbraw/zinc/52/60/26/1309526026.db2.gz ZWIAOBJZCLXQRW-UHFFFAOYSA-N 1 0 348.468 3.305 10 10 EGCERO Cc1cc(O)c(C[NH2+]C[C@@H]2CC[C@]3(CO[C@@H](C)C3)O2)cc1Cl ZINC000895817920 1309532956 /nfs/dbraw/zinc/53/29/56/1309532956.db2.gz MPTOOVMOTBMASE-JDFRZJQESA-N 1 0 325.836 3.170 10 10 EGCERO C[NH+](C)C1(C)CCC(NC(=O)c2cc3cc(O)c(O)cc3s2)CC1 ZINC000899173377 1310965744 /nfs/dbraw/zinc/96/57/44/1310965744.db2.gz ABVAYAOXXRLORM-UHFFFAOYSA-N 1 0 348.468 3.305 10 10 EGCERO C[C@H]([NH2+]C[C@H](O)[C@H]1CCCO1)c1ccc(N2CCCCCC2)cc1 ZINC000858469041 1328770292 /nfs/dbraw/zinc/77/02/92/1328770292.db2.gz OAEVYEKVTJHDCG-FFZOFVMBSA-N 1 0 332.488 3.258 10 10 EGCERO C[C@@H]1C[C@@H]([NH2+]Cc2ccc3oc(=O)n(C)c3c2)c2c1c(F)ccc2O ZINC000858539740 1328791559 /nfs/dbraw/zinc/79/15/59/1328791559.db2.gz KSCCKHITNRWXBI-ZWNOBZJWSA-N 1 0 342.370 3.314 10 10 EGCERO COc1ccc(N2CC[C@H]([NH2+]Cc3cnn(CC4CCC4)c3)C2)cc1 ZINC000922236362 1322484661 /nfs/dbraw/zinc/48/46/61/1322484661.db2.gz AFQFRTSRHDPFCA-SFHVURJKSA-N 1 0 340.471 3.060 10 10 EGCERO Cc1cc(CC[NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)nn1C ZINC000922686310 1322590090 /nfs/dbraw/zinc/59/00/90/1322590090.db2.gz SKSTWNUOLFAKMH-UHFFFAOYSA-N 1 0 340.393 3.146 10 10 EGCERO CC(C)[C@H]1COCC[C@H]1[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000924707163 1323124059 /nfs/dbraw/zinc/12/40/59/1323124059.db2.gz KTOVWQURYJCAGP-RTBURBONSA-N 1 0 334.529 3.391 10 10 EGCERO CC(C)[C@@H]1COCC[C@H]1[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000924707162 1323124357 /nfs/dbraw/zinc/12/43/57/1323124357.db2.gz KTOVWQURYJCAGP-RBUKOAKNSA-N 1 0 334.529 3.391 10 10 EGCERO C[C@H]1CC2(CC([NH2+]Cc3ccc(N4CCSCC4)cc3)C2)CO1 ZINC000924708881 1323125416 /nfs/dbraw/zinc/12/54/16/1323125416.db2.gz SMBJIXAGCZLBDQ-DMKPSLHHSA-N 1 0 332.513 3.287 10 10 EGCERO C[C@H]([NH2+]C[C@@H]1C[C@@H]2COC[C@@H]2O1)c1ccc(N2CCCCC2)c(F)c1 ZINC000926945253 1327788951 /nfs/dbraw/zinc/78/89/51/1327788951.db2.gz NCFJPDHVKXEASK-FORWCCJISA-N 1 0 348.462 3.271 10 10 EGCERO CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](C[NH2+][C@@H]3CCc4cccc(O)c43)[C@@H]2C1 ZINC000926986196 1327808556 /nfs/dbraw/zinc/80/85/56/1327808556.db2.gz HMOKYKVSVYWNCV-LVQVYYBASA-N 1 0 344.455 3.082 10 10 EGCERO C[C@H]([NH2+]CC1(n2cc(Br)cn2)CC1)c1ccccc1O ZINC000927008624 1327818813 /nfs/dbraw/zinc/81/88/13/1327818813.db2.gz SVQQJUXPEKXECB-NSHDSACASA-N 1 0 336.233 3.191 10 10 EGCERO C[C@@H]([NH2+][C@H]1CCc2nnn(C)c2C1)c1ccc(N2CCCCC2)cc1 ZINC000927144241 1327890253 /nfs/dbraw/zinc/89/02/53/1327890253.db2.gz DLOSOAAKXVMUHF-WBVHZDCISA-N 1 0 339.487 3.014 10 10 EGCERO Cc1cnc(CC[N@@H+](C)Cc2cc(F)c(N(C)C)cc2F)s1 ZINC000862250981 1329471249 /nfs/dbraw/zinc/47/12/49/1329471249.db2.gz XRRCWIZUTBFGOX-UHFFFAOYSA-N 1 0 325.428 3.470 10 10 EGCERO Cc1ncc(C[NH2+][C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)o1 ZINC000862278922 1329473483 /nfs/dbraw/zinc/47/34/83/1329473483.db2.gz JSSIGQHMKNDLOE-HNNXBMFYSA-N 1 0 335.835 3.096 10 10 EGCERO COc1ccc(N2CC[C@H]([NH2+]Cc3cnc4ccccc4n3)C2)cc1 ZINC000862407874 1329483868 /nfs/dbraw/zinc/48/38/68/1329483868.db2.gz PNQWSULMUXRKGC-HNNXBMFYSA-N 1 0 334.423 3.007 10 10 EGCERO Cc1cc(Cl)cc(C[NH2+][C@@H]2CCO[C@H]2c2ccc(=O)[nH]c2)c1O ZINC000862525656 1329492141 /nfs/dbraw/zinc/49/21/41/1329492141.db2.gz FPUVPYJXWKOCAL-PBHICJAKSA-N 1 0 334.803 3.074 10 10 EGCERO Cc1cc(Br)cc(C[NH2+][C@@H]2CO[C@H](C3CC3)C2)c1O ZINC000862529868 1329492709 /nfs/dbraw/zinc/49/27/09/1329492709.db2.gz QNVRGVIXVVDGBU-KBPBESRZSA-N 1 0 326.234 3.120 10 10 EGCERO CCc1cccc(C[NH+]2CCC(CC)(N3CCOCC3)CC2)c1O ZINC000862536116 1329493535 /nfs/dbraw/zinc/49/35/35/1329493535.db2.gz GGFHJUWGPMFZEO-UHFFFAOYSA-N 1 0 332.488 3.031 10 10 EGCERO Cc1cc(C[NH2+]C[C@H](O)c2ccc(F)cn2)c(C)n1-c1ccccc1 ZINC000863583151 1329564816 /nfs/dbraw/zinc/56/48/16/1329564816.db2.gz OISVAIZYVFQMTM-FQEVSTJZSA-N 1 0 339.414 3.451 10 10 EGCERO Fc1cc(C[NH2+][C@H](C2CCC2)[C@H]2CCCO2)ccc1N1CCOCC1 ZINC000865737217 1329734064 /nfs/dbraw/zinc/73/40/64/1329734064.db2.gz RYLPPRLWLLGAJH-WOJBJXKFSA-N 1 0 348.462 3.100 10 10 EGCERO CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@@H](c3ccn(C)n3)C2)c1O ZINC000932135733 1329787644 /nfs/dbraw/zinc/78/76/44/1329787644.db2.gz NEFRZZMNOYDHQN-CYBMUJFWSA-N 1 0 347.846 3.361 10 10 EGCERO CC(=O)c1cc(F)cc(C[N@@H+]2CCCC[C@@H]([C@H]3CCOC3)C2)c1O ZINC000934836177 1330010914 /nfs/dbraw/zinc/01/09/14/1330010914.db2.gz NBAREISTUHGKKN-CABCVRRESA-N 1 0 335.419 3.373 10 10 EGCERO COc1cc(C)cc(C[NH2+][C@@H]2CCN(C)[C@@H]2c2ccc(F)cc2)c1O ZINC001119446485 1371344487 /nfs/dbraw/zinc/34/44/87/1371344487.db2.gz ZFZXTXANRUNFSW-IEBWSBKVSA-N 1 0 344.430 3.383 10 10 EGCERO CC/C(C)=C\C(=O)NCC1([NH2+]Cc2ccc(OC)c(C)c2)CCC1 ZINC001326817264 1388320531 /nfs/dbraw/zinc/32/05/31/1388320531.db2.gz RADYZJPGUGKKJG-PTNGSMBKSA-N 1 0 330.472 3.488 10 10 EGCERO C[C@@H]1CC[C@H](CC(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)C1 ZINC001134686379 1376658679 /nfs/dbraw/zinc/65/86/79/1376658679.db2.gz IPUPEXTVKIUVNA-JTDSTZFVSA-N 1 0 331.504 3.298 10 10 EGCERO Cc1cc(C(=O)N2CC([NH+](C)C)C2)c(C)n1-c1ccc(Cl)cc1 ZINC001137963992 1377654092 /nfs/dbraw/zinc/65/40/92/1377654092.db2.gz KAQCYCBRNYKRAC-UHFFFAOYSA-N 1 0 331.847 3.134 10 10 EGCERO COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)c2cccc(F)c2)cc1C ZINC001283568135 1379025954 /nfs/dbraw/zinc/02/59/54/1379025954.db2.gz ZJSBCZXAQSCWHJ-HNNXBMFYSA-N 1 0 344.430 3.393 10 10 EGCERO COc1ccc(C[NH2+][C@@H](C)CCNC(=O)C2(F)CCCC2)cc1C ZINC001328361524 1388729627 /nfs/dbraw/zinc/72/96/27/1388729627.db2.gz LDNGCHMKPIMJAG-HNNXBMFYSA-N 1 0 336.451 3.270 10 10 EGCERO CC(C)[N@@H+]1CCC[C@H]1C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC001162800430 1382876407 /nfs/dbraw/zinc/87/64/07/1382876407.db2.gz HWIKEOHOMPTEQU-IBGZPJMESA-N 1 0 329.488 3.166 10 10 EGCERO CC[NH+](CC)CCCC1CCN(C(=O)Cc2ccc(O)c(O)c2)CC1 ZINC001296293172 1382952385 /nfs/dbraw/zinc/95/23/85/1382952385.db2.gz MWLHHZHWEWYTLI-UHFFFAOYSA-N 1 0 348.487 3.001 10 10 EGCERO CCN(C)c1ccc(C[N@@H+]2CCCN(C(=O)OCC(C)C)CC2)cc1 ZINC001167284444 1383584436 /nfs/dbraw/zinc/58/44/36/1383584436.db2.gz ZBNABJUEYCQXPC-UHFFFAOYSA-N 1 0 347.503 3.443 10 10 EGCERO COc1ccc(C[NH2+][C@H](C)CCNC(=O)c2cc(C)[nH]c2C)cc1C ZINC001317407582 1385119460 /nfs/dbraw/zinc/11/94/60/1385119460.db2.gz DQLRCATYJJPLGV-CQSZACIVSA-N 1 0 343.471 3.247 10 10 EGCERO C[C@@H]([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)c1ccccc1O ZINC001175419467 1385282133 /nfs/dbraw/zinc/28/21/33/1385282133.db2.gz UTRVEOKLDWORFP-LLVKDONJSA-N 1 0 347.346 3.119 10 10 EGCERO CC(=O)c1cc(F)cc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)c1O ZINC001176028403 1385465078 /nfs/dbraw/zinc/46/50/78/1385465078.db2.gz MPJYRVOCUVICHB-SNVBAGLBSA-N 1 0 332.331 3.493 10 10 EGCERO CC[C@H](CNC(=O)c1cncc(C)c1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001318513327 1385732617 /nfs/dbraw/zinc/73/26/17/1385732617.db2.gz VKQYZIKNYAMLGN-GOSISDBHSA-N 1 0 341.455 3.005 10 10 EGCERO CC(C)(C)[C@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2)CCO1 ZINC001176995413 1385768574 /nfs/dbraw/zinc/76/85/74/1385768574.db2.gz LXYLOZNEJUXHTP-LJQANCHMSA-N 1 0 332.488 3.160 10 10 EGCERO COc1ccc(C[C@H](C)[N@H+](C)Cc2cc(OC)c(OC)cc2O)cc1 ZINC001320059965 1386482139 /nfs/dbraw/zinc/48/21/39/1386482139.db2.gz QGDWWTUCVGEJHE-AWEZNQCLSA-N 1 0 345.439 3.481 10 10 EGCERO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)c2cc(C)c(C)o2)cc1C ZINC001321488357 1386914949 /nfs/dbraw/zinc/91/49/49/1386914949.db2.gz KJWMYJJFYXYPLM-CQSZACIVSA-N 1 0 330.428 3.122 10 10 EGCERO CCc1[nH]c(C[NH2+]Cc2ccc(N(C)C)cc2C)cc1C(=O)OC ZINC001334359056 1390524619 /nfs/dbraw/zinc/52/46/19/1390524619.db2.gz MHSZDCXFHWPPFP-UHFFFAOYSA-N 1 0 329.444 3.028 10 10 EGCERO CC(C)CC1(NC(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)CC1 ZINC001479533438 1392272420 /nfs/dbraw/zinc/27/24/20/1392272420.db2.gz HVNWVDOSEHHRGU-GOSISDBHSA-N 1 0 346.519 3.233 10 10 EGCERO COc1ccc(C[NH2+]CCN(C)C(=O)C[C@@H]2C=CCCC2)cc1C ZINC001481244199 1393152788 /nfs/dbraw/zinc/15/27/88/1393152788.db2.gz GVYMBKLJJOVYCI-QGZVFWFLSA-N 1 0 330.472 3.298 10 10 EGCERO COc1ccc(C[NH2+][C@H]2CCN(C(=O)CCCC3CC3)C2)cc1C ZINC001490837415 1394359401 /nfs/dbraw/zinc/35/94/01/1394359401.db2.gz AEYXSJXGHQNXMO-SFHVURJKSA-N 1 0 330.472 3.274 10 10 EGCERO CCc1occc1C(=O)NC[C@H](CC)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001481808974 1394540196 /nfs/dbraw/zinc/54/01/96/1394540196.db2.gz QHNMJOOZWSWNNX-INIZCTEOSA-N 1 0 344.455 3.457 10 10 EGCERO COc1ccc(C[NH2+][C@H](CCNC(=O)c2ccc[nH]2)C(C)C)cc1C ZINC001485781655 1396151685 /nfs/dbraw/zinc/15/16/85/1396151685.db2.gz JLKODIVRPIKAJJ-QGZVFWFLSA-N 1 0 343.471 3.266 10 10 EGCERO CC[C@@H](C)CC(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001691779256 1405489703 /nfs/dbraw/zinc/48/97/03/1405489703.db2.gz PBZMUWFCSGIWQA-ZTFGCOKTSA-N 1 0 332.488 3.424 10 10 EGCERO COc1ccc(C[NH2+][C@@H](C)CCNC(=O)c2cccc(F)c2)cc1C ZINC001700318565 1413781169 /nfs/dbraw/zinc/78/11/69/1413781169.db2.gz OPIYPNBZPPSSPP-HNNXBMFYSA-N 1 0 344.430 3.441 10 10 EGCERO CC(C)CCC[NH2+][C@H](C)[C@@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001700430585 1413992521 /nfs/dbraw/zinc/99/25/21/1413992521.db2.gz MRLHZWGEFQLILV-ZIAGYGMSSA-N 1 0 347.463 3.382 10 10 EGCERO COc1ccc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)C=C(C)C)C2)cc1C ZINC001700888068 1414546607 /nfs/dbraw/zinc/54/66/07/1414546607.db2.gz WYWOBQSKJOAUGN-MSOLQXFVSA-N 1 0 330.472 3.344 10 10 EGCERO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)C[C@H](C)n2cccc2)cc1C ZINC001732979384 1429105286 /nfs/dbraw/zinc/10/52/86/1429105286.db2.gz WIBCHFZEXOOEMJ-SJORKVTESA-N 1 0 343.471 3.051 10 10 EGCERO CC(C)CCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001713089657 1417636673 /nfs/dbraw/zinc/63/66/73/1417636673.db2.gz JMTMWDUHKZXXAZ-MRXNPFEDSA-N 1 0 345.447 3.089 10 10 EGCERO CC[C@@H]1C[C@H]1C(=O)NC[C@H]([NH2+]Cc1ccc(OC)c(C)c1)C1CC1 ZINC001713118884 1417684325 /nfs/dbraw/zinc/68/43/25/1417684325.db2.gz ABZCCCNJMANODA-NXHRZFHOSA-N 1 0 330.472 3.034 10 10 EGCERO COc1ccc(C[NH2+][C@@H](CNC(=O)C2(F)CCCC2)C2CC2)cc1C ZINC001713870035 1418666961 /nfs/dbraw/zinc/66/69/61/1418666961.db2.gz KHPTZWFRYRFDIE-KRWDZBQOSA-N 1 0 348.462 3.270 10 10 EGCERO CC[C@H](CNC(=O)[C@@H](C)n1cccc1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001714066613 1418862859 /nfs/dbraw/zinc/86/28/59/1418862859.db2.gz DWCYIHHUPJJFJL-SJLPKXTDSA-N 1 0 343.471 3.051 10 10 EGCERO COc1ccc(C[NH2+]CCN(C)C(=O)c2ccsc2C)cc1C ZINC001714707686 1419479391 /nfs/dbraw/zinc/47/93/91/1419479391.db2.gz OTMJYDNTXFIPOE-UHFFFAOYSA-N 1 0 332.469 3.235 10 10 EGCERO COc1ccc(C[NH2+][C@@H](CNC(=O)[C@H]2C[C@H]3C[C@H]3C2)C(C)C)cc1C ZINC001715502240 1420184770 /nfs/dbraw/zinc/18/47/70/1420184770.db2.gz MQLITOPTOVJNSV-MANSERQUSA-N 1 0 344.499 3.280 10 10 EGCERO COc1ccc(C[NH2+]C/C=C\CNC(=O)/C=C/c2ccco2)cc1C ZINC001716262367 1420587473 /nfs/dbraw/zinc/58/74/73/1420587473.db2.gz GNVDEUUIPSUFTN-JWAQTBJPSA-N 1 0 340.423 3.072 10 10 EGCERO COc1ccc(C[NH2+]CCCN(C)C(=O)[C@@H](C)c2ccco2)cc1C ZINC001716567108 1420762728 /nfs/dbraw/zinc/76/27/28/1420762728.db2.gz HTTYMSCRILBEHN-INIZCTEOSA-N 1 0 344.455 3.338 10 10 EGCERO COc1ccc(C[NH2+]CCCN(C)C(=O)c2cccc(F)c2)cc1C ZINC001722969190 1424281564 /nfs/dbraw/zinc/28/15/64/1424281564.db2.gz BZZFCOWXOSFDDW-UHFFFAOYSA-N 1 0 344.430 3.395 10 10 EGCERO COc1ccc(C[NH2+][C@@H](C)CNC(=O)Cc2ccccc2C)cc1C ZINC001731633957 1427687630 /nfs/dbraw/zinc/68/76/30/1427687630.db2.gz LZTBJSYZLRAAGG-KRWDZBQOSA-N 1 0 340.467 3.149 10 10 EGCERO COc1ccc(C[NH2+]CC[C@H]2CCN(C(=O)C(C)(C)C)C2)cc1C ZINC001733673545 1429867975 /nfs/dbraw/zinc/86/79/75/1429867975.db2.gz IUUUSWWDIYTICR-INIZCTEOSA-N 1 0 332.488 3.378 10 10 EGCERO O=C1C[C@@H]([C@H]2CCCC[N@@H+]2Cc2ccc(N3CCCCC3)cc2)CN1 ZINC000092104744 454523976 /nfs/dbraw/zinc/52/39/76/454523976.db2.gz KRPGFKJRTWOZOY-UYAOXDASSA-N 1 0 341.499 3.168 10 10 EGCERO CCc1ccc([C@H](O)C[NH+]2CCN(c3ccc(OC)cc3)CC2)cc1 ZINC000065255256 454544500 /nfs/dbraw/zinc/54/45/00/454544500.db2.gz VWBGUZQFFJYOGI-OAQYLSRUSA-N 1 0 340.467 3.113 10 10 EGCERO c1csc([C@@H]2CCC[N@@H+](Cc3ccc(N4CCOCC4)cc3)C2)n1 ZINC000092788673 454633822 /nfs/dbraw/zinc/63/38/22/454633822.db2.gz XQTXLWGVPFVGSW-QGZVFWFLSA-N 1 0 343.496 3.359 10 10 EGCERO O[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000093611558 454723491 /nfs/dbraw/zinc/72/34/91/454723491.db2.gz WHXDDUYAVQRDJX-INIZCTEOSA-N 1 0 328.378 3.176 10 10 EGCERO C[C@H](Cn1cncn1)[NH2+][C@@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000164178474 454876655 /nfs/dbraw/zinc/87/66/55/454876655.db2.gz QKNSRFSRGHYRPL-SJORKVTESA-N 1 0 327.476 3.398 10 10 EGCERO CCn1cc(C2CC[NH+](Cc3cc(OC)c(OC)cc3O)CC2)cn1 ZINC000160241319 455440596 /nfs/dbraw/zinc/44/05/96/455440596.db2.gz ZVTXMTNCWOGCQS-UHFFFAOYSA-N 1 0 345.443 3.005 10 10 EGCERO COc1ccccc1N1CC[C@@H]([NH2+][C@H](C)c2cc(F)ccc2O)C1 ZINC000185712422 455603620 /nfs/dbraw/zinc/60/36/20/455603620.db2.gz KFUJRQDSEUQDSV-UKRRQHHQSA-N 1 0 330.403 3.469 10 10 EGCERO COc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCN(C(=O)C3CCCCC3)C2)c1 ZINC000185762983 455616766 /nfs/dbraw/zinc/61/67/66/455616766.db2.gz KRVDSNMIRINWDT-ZBFHGGJFSA-N 1 0 346.471 3.233 10 10 EGCERO Cc1ccc(O)c([C@H](C)[NH2+]CCCN2C(=O)COc3ccccc32)c1 ZINC000186078571 455689584 /nfs/dbraw/zinc/68/95/84/455689584.db2.gz DJOLVEPHFYCBKF-HNNXBMFYSA-N 1 0 340.423 3.167 10 10 EGCERO CN1C[C@@H]([NH2+][C@@H](CCc2ccccc2)c2ccccc2O)CCC1=O ZINC000293785133 455797350 /nfs/dbraw/zinc/79/73/50/455797350.db2.gz QJXDRPSFAVZPBG-HKUYNNGSSA-N 1 0 338.451 3.277 10 10 EGCERO C[N@@H+](Cc1ccc(N2CCCCC2)cc1)C[C@H](O)CC(F)(F)F ZINC000188638387 456101130 /nfs/dbraw/zinc/10/11/30/456101130.db2.gz VDGZRKZDQBBOJR-MRXNPFEDSA-N 1 0 330.394 3.422 10 10 EGCERO COC(=O)CCCCC[NH2+]Cc1cc(Br)cc(C)c1O ZINC000289907425 456176616 /nfs/dbraw/zinc/17/66/16/456176616.db2.gz UUODIKYYMJXZRH-UHFFFAOYSA-N 1 0 344.249 3.286 10 10 EGCERO C[C@H]([NH2+][C@@H]1CCN(Cc2ccc(F)cc2)C1=O)c1cc(F)ccc1O ZINC000189044585 456208914 /nfs/dbraw/zinc/20/89/14/456208914.db2.gz OVDPUHCWAKIUGI-YVEFUNNKSA-N 1 0 346.377 3.122 10 10 EGCERO Cc1cc(Cl)cc(C[N@H+]2CCC[C@H]2C[C@@H](O)c2cnn(C)c2)c1O ZINC000378440686 457397599 /nfs/dbraw/zinc/39/75/99/457397599.db2.gz DHJMDLLYHISPTA-DLBZAZTESA-N 1 0 349.862 3.176 10 10 EGCERO C[C@@H]1C[N@H+](Cc2ccc(N(C)C)c(F)c2)C[C@]2(CCO[C@H](C)C2)O1 ZINC000366790428 457899692 /nfs/dbraw/zinc/89/96/92/457899692.db2.gz ARQYQECWQHVOEE-SPYBWZPUSA-N 1 0 336.451 3.050 10 10 EGCERO COc1cc(Cl)cc(C[NH2+][C@H]2CCc3cnn(C(C)C)c3C2)c1O ZINC000368978612 458068774 /nfs/dbraw/zinc/06/87/74/458068774.db2.gz SXVRMEWWLFSYCG-HNNXBMFYSA-N 1 0 349.862 3.479 10 10 EGCERO Oc1ccc(Br)cc1C[NH2+]C[C@@H]1CCN1C1CCCC1 ZINC000527804821 459741762 /nfs/dbraw/zinc/74/17/62/459741762.db2.gz BTTPRHLZUSCDIQ-HNNXBMFYSA-N 1 0 339.277 3.261 10 10 EGCERO Cc1cc(Br)cc(C[NH2+][C@H]2[C@@H](C)[C@H](C)O[C@H]2C)c1O ZINC000529669764 459833405 /nfs/dbraw/zinc/83/34/05/459833405.db2.gz PDODCIFASHSECU-RMIALFOJSA-N 1 0 328.250 3.365 10 10 EGCERO CCCN(CCC)c1ccc(C[NH2+][C@@H]2CC(=O)N([C@H]3C[C@H]3C)C2)cc1 ZINC000742392569 576778591 /nfs/dbraw/zinc/77/85/91/576778591.db2.gz QVQVALAFDWTTBT-POAQFYNOSA-N 1 0 343.515 3.412 10 10 EGCERO CCN(CC)c1ccc(C[NH+]2CCC(C(=O)N3CCCC3)CC2)cc1 ZINC000122515572 1293415733 /nfs/dbraw/zinc/41/57/33/1293415733.db2.gz BQBLXZPSGURRIE-UHFFFAOYSA-N 1 0 343.515 3.367 10 10 EGCERO CN(C)c1ccc(C[N@H+](C)[C@@H]2CCN(c3ccccc3F)C2=O)cc1 ZINC000152850656 1293987451 /nfs/dbraw/zinc/98/74/51/1293987451.db2.gz WXPYLQPFJUKFSQ-LJQANCHMSA-N 1 0 341.430 3.129 10 10 EGCERO FC(F)(F)[C@@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000179621141 1294807843 /nfs/dbraw/zinc/80/78/43/1294807843.db2.gz XSKHSKMOFUIXLD-OAHLLOKOSA-N 1 0 328.378 3.298 10 10 EGCERO CCN(CC)c1ccc(CN(C)C(=O)CCC23CC(C2)C[NH2+]3)cc1 ZINC000870857116 1296115070 /nfs/dbraw/zinc/11/50/70/1296115070.db2.gz XAWIFLWJHDJSMU-UHFFFAOYSA-N 1 0 329.488 3.023 10 10 EGCERO CN(c1ccc(CNC(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)cc1)C1CCCCC1 ZINC000870874652 1296124229 /nfs/dbraw/zinc/12/42/29/1296124229.db2.gz IJEOMLZWGJUPCC-WWMYMODYSA-N 1 0 341.499 3.199 10 10 EGCERO COc1ccc(N2CC[C@@H]([NH2+][C@@H](C)c3cccc(O)c3F)C2)cc1 ZINC000872085859 1296725594 /nfs/dbraw/zinc/72/55/94/1296725594.db2.gz RIOQUXFICRILFH-UONOGXRCSA-N 1 0 330.403 3.469 10 10 EGCERO C[C@@H]1C[C@@H]([NH2+]Cc2cccc(O)c2O)CCN1Cc1ccccc1 ZINC000379636851 1297535596 /nfs/dbraw/zinc/53/55/96/1297535596.db2.gz XXDUHRNFWYANHZ-QAPCUYQASA-N 1 0 326.440 3.241 10 10 EGCERO C[C@H]1C[C@H]([NH2+]Cc2ccc(O)cc2O)CCN1Cc1ccccc1 ZINC000379633982 1297535672 /nfs/dbraw/zinc/53/56/72/1297535672.db2.gz UXHRFTCOQXELOA-MAUKXSAKSA-N 1 0 326.440 3.241 10 10 EGCERO Oc1cccc(Br)c1CN(C[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000706842363 1298223148 /nfs/dbraw/zinc/22/31/48/1298223148.db2.gz CEABOYDAIZCTLY-GFCCVEGCSA-N 1 0 339.277 3.119 10 10 EGCERO CC(C)(C)OC(=O)Nc1ccnc(C[NH2+]Cc2ccccc2O)c1 ZINC000886265413 1303414498 /nfs/dbraw/zinc/41/44/98/1303414498.db2.gz IDYVWPCOGFGCHB-UHFFFAOYSA-N 1 0 329.400 3.424 10 10 EGCERO COCCC1(C[NH2+]Cc2c3cc(F)ccc3n(C)c2C(=O)OC)CC1 ZINC000894344072 1306353063 /nfs/dbraw/zinc/35/30/63/1306353063.db2.gz KKHVDSQQVFEFKJ-UHFFFAOYSA-N 1 0 348.418 3.010 10 10 EGCERO COc1cc(C)cc(C[NH2+][C@H]2CCOC3(CCSCC3)C2)c1O ZINC000894359364 1306358894 /nfs/dbraw/zinc/35/88/94/1306358894.db2.gz NVNTVMHIGDHLHI-HNNXBMFYSA-N 1 0 337.485 3.244 10 10 EGCERO COC(=O)c1c(C[NH2+]C[C@@]2(C)CC2(F)F)c2cc(F)ccc2n1C ZINC000895276158 1309268316 /nfs/dbraw/zinc/26/83/16/1309268316.db2.gz USDBJHOYPJNARP-MRXNPFEDSA-N 1 0 340.345 3.239 10 10 EGCERO Fc1cc(C[N@@H+]2CC[C@@H](c3nccs3)C2)ccc1N1CCOCC1 ZINC000895583977 1309414254 /nfs/dbraw/zinc/41/42/54/1309414254.db2.gz NNGBCFHUQKNASJ-OAHLLOKOSA-N 1 0 347.459 3.108 10 10 EGCERO COC(=O)c1cc(C[NH2+]Cc2ccc3ccccc3c2O)n(C)c1C ZINC000895646192 1309447192 /nfs/dbraw/zinc/44/71/92/1309447192.db2.gz IOWCKSGAMFFCAS-UHFFFAOYSA-N 1 0 338.407 3.269 10 10 EGCERO CC1([NH+]2CCC2)CCN(Cc2cc(Br)ccc2O)CC1 ZINC000895671560 1309458463 /nfs/dbraw/zinc/45/84/63/1309458463.db2.gz QPTKAWPEKNHQMZ-UHFFFAOYSA-N 1 0 339.277 3.215 10 10 EGCERO Oc1c(C[NH2+]C[C@@H](O)C(F)(F)C(F)(F)F)ccc2ccccc21 ZINC000895676862 1309460905 /nfs/dbraw/zinc/46/09/05/1309460905.db2.gz DTEXJOWHZHSQGC-GFCCVEGCSA-N 1 0 335.272 3.194 10 10 EGCERO C[N@@H+]1CCCC12CCN(C(=O)c1cc3cc(O)c(O)cc3s1)CC2 ZINC000897299281 1310277790 /nfs/dbraw/zinc/27/77/90/1310277790.db2.gz COJLQFJTPLLAAT-UHFFFAOYSA-N 1 0 346.452 3.013 10 10 EGCERO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000897739680 1310450405 /nfs/dbraw/zinc/45/04/05/1310450405.db2.gz RAYDFMXCZABUII-DGCLKSJQSA-N 1 0 346.452 3.011 10 10 EGCERO Cc1ccncc1/C=C/C(=O)N1C[C@@H]([NH+](C)C)CCc2ccccc21 ZINC000857927518 1328629110 /nfs/dbraw/zinc/62/91/10/1328629110.db2.gz RWPMJJRELCCJRB-JARZOMNASA-N 1 0 335.451 3.313 10 10 EGCERO CCN(CC)c1ccc(C[NH2+]CC(C)(C)C(=O)N2CCCC2)cc1F ZINC000858292529 1328730845 /nfs/dbraw/zinc/73/08/45/1328730845.db2.gz KGWDLNWDNIESET-UHFFFAOYSA-N 1 0 349.494 3.410 10 10 EGCERO Brc1cc(C[NH2+]CC2COC2)ccc1N1CCCCC1 ZINC000858297974 1328731656 /nfs/dbraw/zinc/73/16/56/1328731656.db2.gz MTWUXFSRZNRPDR-UHFFFAOYSA-N 1 0 339.277 3.175 10 10 EGCERO COc1cc(Br)cc(C[NH2+][C@H](C)c2ccns2)c1O ZINC000858317387 1328735901 /nfs/dbraw/zinc/73/59/01/1328735901.db2.gz NBFMVRDXKCRMCY-MRVPVSSYSA-N 1 0 343.246 3.471 10 10 EGCERO Oc1ccccc1CN(Cc1cnn(CCF)c1)Cc1ccco1 ZINC000929972800 1328753783 /nfs/dbraw/zinc/75/37/83/1328753783.db2.gz VYTOQJFPLLAWPM-UHFFFAOYSA-N 1 0 329.375 3.354 10 10 EGCERO C[C@@H]([NH2+]C[C@H](n1cccn1)C(F)(F)F)c1ccc(N(C)C)cc1 ZINC000858449098 1328765147 /nfs/dbraw/zinc/76/51/47/1328765147.db2.gz WNYZXACZDNOHEI-DOMZBBRYSA-N 1 0 326.366 3.403 10 10 EGCERO Cc1cc(C)c([C@@H](C)[NH2+]Cc2ccc3oc(=O)n(C)c3c2)c(O)c1 ZINC000858540058 1328791450 /nfs/dbraw/zinc/79/14/50/1328791450.db2.gz UMKHKMVEIVREFJ-CYBMUJFWSA-N 1 0 326.396 3.305 10 10 EGCERO CC[C@@H]([NH2+][C@@H]1CCO[C@@H]1c1nc(C)no1)c1ccc(N(C)C)cc1 ZINC000858592012 1328803573 /nfs/dbraw/zinc/80/35/73/1328803573.db2.gz PQVUGMSYERMWQT-ZACQAIPSSA-N 1 0 330.432 3.015 10 10 EGCERO CCN(C)c1ccc([C@@H](C)[NH2+][C@@H]2CCO[C@@H]2c2nc(C)no2)cc1 ZINC000858592276 1328804286 /nfs/dbraw/zinc/80/42/86/1328804286.db2.gz XLIOWVGDYOCKSP-JLZZUVOBSA-N 1 0 330.432 3.015 10 10 EGCERO Cc1nnsc1[C@H](C)[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000930210490 1328812795 /nfs/dbraw/zinc/81/27/95/1328812795.db2.gz MVZZODFANOKZIL-OLZOCXBDSA-N 1 0 332.473 3.095 10 10 EGCERO COc1ccc(O)c([C@H](C)[NH2+]C[C@](C)(O)C(F)(F)C(F)(F)F)c1 ZINC000930217236 1328813783 /nfs/dbraw/zinc/81/37/83/1328813783.db2.gz TYGWSOFZTWKDJS-UFBFGSQYSA-N 1 0 343.292 3.000 10 10 EGCERO O=c1cc(C[NH2+][C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc[nH]1 ZINC000921792742 1322398498 /nfs/dbraw/zinc/39/84/98/1322398498.db2.gz BSOUDUTXGMFDLR-CQSZACIVSA-N 1 0 349.381 3.147 10 10 EGCERO CN(C)c1ccc(/C=C\C[NH2+]C[C@@H]2CCC3(CCOCC3)O2)cc1 ZINC000922807502 1322623269 /nfs/dbraw/zinc/62/32/69/1322623269.db2.gz BUIFDEUZHLVNMH-LLHWWHOWSA-N 1 0 330.472 3.084 10 10 EGCERO c1cc(N2CCCCC2)ccc1C[NH2+]C[C@H]1CCN1C1CCOCC1 ZINC000922951419 1322658676 /nfs/dbraw/zinc/65/86/76/1322658676.db2.gz NYOCYGABHCLOHZ-OAQYLSRUSA-N 1 0 343.515 3.020 10 10 EGCERO C[C@@H]([NH2+]C1CC2(C1)CO[C@@H](C)C2)c1ccc(N2CCOCC2)cc1 ZINC000924794761 1323165610 /nfs/dbraw/zinc/16/56/10/1323165610.db2.gz HJWNOONGWFANQU-LBLBDHKGSA-N 1 0 330.472 3.131 10 10 EGCERO Cc1cc(Br)cc([C@H](C)[NH2+]Cc2cc(N)ccn2)c1O ZINC000925768451 1325292487 /nfs/dbraw/zinc/29/24/87/1325292487.db2.gz UWRZMDWLFMEUFY-JTQLQIEISA-N 1 0 336.233 3.291 10 10 EGCERO C[C@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)c1cc(Br)cc(Cl)c1[O-] ZINC000925784249 1325300240 /nfs/dbraw/zinc/30/02/40/1325300240.db2.gz IHTXSZZPWLZDPQ-UTLUCORTSA-N 1 0 347.684 3.314 10 10 EGCERO COc1ccc(N2CC[C@H](C[NH2+][C@@H]3CCOC[C@H]3C(C)C)C2)cc1 ZINC000926613537 1327635778 /nfs/dbraw/zinc/63/57/78/1327635778.db2.gz URDWNVRHDVKUAJ-LSTHTHJFSA-N 1 0 332.488 3.172 10 10 EGCERO COc1ccc(N2CC[C@H]([NH2+][C@@H](C3CC3)C3CCOCC3)C2)cc1 ZINC000926680389 1327662928 /nfs/dbraw/zinc/66/29/28/1327662928.db2.gz MLUCWJMSAKUXGQ-PXNSSMCTSA-N 1 0 330.472 3.069 10 10 EGCERO CCO[C@H](C[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1)CN(C)C ZINC000926961512 1327799426 /nfs/dbraw/zinc/79/94/26/1327799426.db2.gz JKRLREYEBQINDA-FXAWDEMLSA-N 1 0 333.520 3.294 10 10 EGCERO C[C@]1(C[NH2+]Cc2cc(F)c(N3CCOCC3)c(F)c2)CCCS1 ZINC000862392551 1329481982 /nfs/dbraw/zinc/48/19/82/1329481982.db2.gz MVBIRACOOLOYEL-QGZVFWFLSA-N 1 0 342.455 3.177 10 10 EGCERO Cc1cc(Br)c(O)c(CN2CCO[C@H](CCF)C2)c1 ZINC000862529160 1329492723 /nfs/dbraw/zinc/49/27/23/1329492723.db2.gz CAMDKQAMPCKAIR-GFCCVEGCSA-N 1 0 332.213 3.024 10 10 EGCERO C[C@H](N[C@H]1CC[NH2+]C12CCC2)c1ccc(N2CCOCC2)cc1Cl ZINC000863540550 1329561926 /nfs/dbraw/zinc/56/19/26/1329561926.db2.gz BOZMVTZOAPZINR-KSSFIOAISA-N 1 0 349.906 3.112 10 10 EGCERO CN(C)c1ccc(/C=C\CN2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1 ZINC000863646415 1329570273 /nfs/dbraw/zinc/57/02/73/1329570273.db2.gz SJUUBDHXIPJZGB-AAAUKVELSA-N 1 0 341.421 3.225 10 10 EGCERO COc1ccc(N2CC[C@H]([NH2+][C@@H]3[C@@H]4CCO[C@@H]4C34CCCC4)C2)cc1 ZINC000866385663 1330104849 /nfs/dbraw/zinc/10/48/49/1330104849.db2.gz OVNDBWYVPZUGHF-QLIIJSOBSA-N 1 0 342.483 3.211 10 10 EGCERO C[C@@H]([NH2+]CC[C@H](O)C(F)F)c1ccc(N2CCCCC2)c(F)c1 ZINC000866442169 1330112881 /nfs/dbraw/zinc/11/28/81/1330112881.db2.gz FWUSGGVGRZLWQN-WBMJQRKESA-N 1 0 330.394 3.483 10 10 EGCERO Cc1ccc([C@H](C)[NH2+]Cc2ccc(CN3CCNC3=O)cc2)c(O)c1 ZINC000866576337 1330128933 /nfs/dbraw/zinc/12/89/33/1330128933.db2.gz GNNZXHVSYOJGSO-HNNXBMFYSA-N 1 0 339.439 3.077 10 10 EGCERO COc1ccc(C[NH2+]C2(CNC(=O)[C@@H]3CCC3(C)C)CC2)cc1C ZINC001323518147 1387380172 /nfs/dbraw/zinc/38/01/72/1387380172.db2.gz GYOUKCSUGWBBIU-INIZCTEOSA-N 1 0 330.472 3.178 10 10 EGCERO COc1ccc(N2CC[NH+](C[C@@H]3CCC4(CCC4)CO3)CC2)cc1F ZINC001192108553 1367689552 /nfs/dbraw/zinc/68/95/52/1367689552.db2.gz XQEOHNSLITYAFG-KRWDZBQOSA-N 1 0 348.462 3.306 10 10 EGCERO CC(=O)c1cc(F)cc(C[N@@H+](CCO)[C@@H](C)c2ccccc2)c1O ZINC001192389815 1367770894 /nfs/dbraw/zinc/77/08/94/1367770894.db2.gz IYWNGZYZHADRRW-ZDUSSCGKSA-N 1 0 331.387 3.289 10 10 EGCERO CCOc1ccc(N2CC[NH+](C[C@H](O)CC3CCCC3)CC2)cc1 ZINC001116755761 1370967537 /nfs/dbraw/zinc/96/75/37/1370967537.db2.gz UCFMDAQZVNTKNK-LJQANCHMSA-N 1 0 332.488 3.149 10 10 EGCERO CO[C@@H](CC[NH2+]Cc1c(O)cccc1Br)C(F)(F)F ZINC001118860448 1371242914 /nfs/dbraw/zinc/24/29/14/1371242914.db2.gz TTWYJXXKWYXLQD-NSHDSACASA-N 1 0 342.155 3.212 10 10 EGCERO COc1ccc(C[NH2+]C2(CNC(=O)[C@H]3C[C@H]3C(C)C)CCC2)cc1C ZINC001326910160 1388346094 /nfs/dbraw/zinc/34/60/94/1388346094.db2.gz DDVPAOIGBBGVAZ-ROUUACIJSA-N 1 0 344.499 3.424 10 10 EGCERO CN(C)c1ccc([C@@H](CNC(=O)[C@@H]2CCCC3(CC3)C2)[NH+](C)C)cc1 ZINC001134686155 1376658392 /nfs/dbraw/zinc/65/83/92/1376658392.db2.gz BMQLKYPNVZZIHB-IEBWSBKVSA-N 1 0 343.515 3.442 10 10 EGCERO C[C@@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)[NH2+]CCCC1CCC1 ZINC001265873202 1377170407 /nfs/dbraw/zinc/17/04/07/1377170407.db2.gz PCOYCTDSRQIEHK-ZDUSSCGKSA-N 1 0 345.447 3.137 10 10 EGCERO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001142419070 1378440950 /nfs/dbraw/zinc/44/09/50/1378440950.db2.gz MMGDKFVFTHWTMR-UHOSZYNNSA-N 1 0 345.531 3.229 10 10 EGCERO CC(C)=CC[NH2+][C@@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)[C@@H]1C ZINC001283937396 1379287127 /nfs/dbraw/zinc/28/71/27/1379287127.db2.gz CEPFTIUBRZTNCM-CZUORRHYSA-N 1 0 343.431 3.008 10 10 EGCERO CCc1nc(C)cc(NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)n1 ZINC001164317761 1383177245 /nfs/dbraw/zinc/17/72/45/1383177245.db2.gz HFQABCJHKRJVGV-KRWDZBQOSA-N 1 0 327.476 3.128 10 10 EGCERO COc1ccc(C[NH2+][C@H](C)[C@H](C)NC(=O)/C=C\c2ccc[nH]2)cc1C ZINC001329029089 1388937845 /nfs/dbraw/zinc/93/78/45/1388937845.db2.gz YZUNXQUEXCDELP-GPPWAPFKSA-N 1 0 341.455 3.028 10 10 EGCERO COc1ccc(C[NH2+][C@H](C)CNC(=O)c2conc2C(C)C)cc1C ZINC001317246148 1385019081 /nfs/dbraw/zinc/01/90/81/1385019081.db2.gz MDOPVSUFUFDUEX-CQSZACIVSA-N 1 0 345.443 3.023 10 10 EGCERO COc1ccc(C[NH2+][C@H](C)CNC(=O)C2CC3(CCC3)C2)cc1C ZINC001317262034 1385031251 /nfs/dbraw/zinc/03/12/51/1385031251.db2.gz SGCIDQLPHWLHCD-OAHLLOKOSA-N 1 0 330.472 3.178 10 10 EGCERO Cc1cc(C[N@@H+]2CCN3C[C@@H](F)C[C@H]3C2)ccc1N1CCCCC1 ZINC001176776941 1385692173 /nfs/dbraw/zinc/69/21/73/1385692173.db2.gz DZOQWDRTZMZGPE-OALUTQOASA-N 1 0 331.479 3.213 10 10 EGCERO CC[C@@H](CNC(=O)CC(C)(F)F)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001318571402 1385765444 /nfs/dbraw/zinc/76/54/44/1385765444.db2.gz YPXPSMGPKROMCR-AWEZNQCLSA-N 1 0 328.403 3.033 10 10 EGCERO COc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)C[C@@H](C)C2CC2)cc1C ZINC001319594040 1386195933 /nfs/dbraw/zinc/19/59/33/1386195933.db2.gz RBEIBHDMQOWPPZ-GDBMZVCRSA-N 1 0 332.488 3.376 10 10 EGCERO COc1ccc(C[NH2+][C@@H](CNC(=O)[C@@H]2CC23CCC3)C(C)C)cc1C ZINC001319948161 1386412159 /nfs/dbraw/zinc/41/21/59/1386412159.db2.gz TYHZAVGVKTUWEJ-ROUUACIJSA-N 1 0 344.499 3.424 10 10 EGCERO COc1ccc(C[C@@H](C)[N@H+](C)Cc2cc(OC)c(OC)cc2O)cc1 ZINC001320059969 1386482370 /nfs/dbraw/zinc/48/23/70/1386482370.db2.gz QGDWWTUCVGEJHE-CQSZACIVSA-N 1 0 345.439 3.481 10 10 EGCERO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)C[C@@H](C)c2ccco2)cc1C ZINC001321711050 1386963489 /nfs/dbraw/zinc/96/34/89/1386963489.db2.gz YUFMFYCIKCOHHI-HZPDHXFCSA-N 1 0 344.455 3.385 10 10 EGCERO CN(Cc1ccc(N2CCCC2)cc1)C(=O)C1CC[NH+](C2CC2)CC1 ZINC001353910357 1392107539 /nfs/dbraw/zinc/10/75/39/1392107539.db2.gz IPBPUPXFZPDNEI-UHFFFAOYSA-N 1 0 341.499 3.120 10 10 EGCERO COc1ccc(C[NH2+][C@@H](CNC(=O)/C=C(/C)C2CC2)C2CC2)cc1C ZINC001490636659 1394287455 /nfs/dbraw/zinc/28/74/55/1394287455.db2.gz DPGWPZIXWIVKQY-RNUYOQPASA-N 1 0 342.483 3.344 10 10 EGCERO COc1ccc(C[NH2+]C2(CNC(=O)[C@@H]3C[C@H]3C)CCCC2)cc1C ZINC001482208841 1394802699 /nfs/dbraw/zinc/80/26/99/1394802699.db2.gz QLTYTRJJQSSZNY-RHSMWYFYSA-N 1 0 330.472 3.178 10 10 EGCERO COc1ccc(C[NH2+]CCC[C@@H](C)NC(=O)[C@H]2CC23CC3)cc1C ZINC001485740199 1396127305 /nfs/dbraw/zinc/12/73/05/1396127305.db2.gz JBJCWRAOZOVXKB-NVXWUHKLSA-N 1 0 330.472 3.178 10 10 EGCERO COc1ccc(C[NH2+]C[C@@H](CC(C)C)NC(=O)[C@H]2C[C@@H]2C)cc1C ZINC001496284489 1396630667 /nfs/dbraw/zinc/63/06/67/1396630667.db2.gz IRGIYZVRDWBOCA-QGTPRVQTSA-N 1 0 332.488 3.280 10 10 EGCERO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)c2ccc(C)cc2)cc1C ZINC001497970074 1396893826 /nfs/dbraw/zinc/89/38/26/1396893826.db2.gz MVVQKXHUZMRSMN-MRXNPFEDSA-N 1 0 326.440 3.220 10 10 EGCERO COc1ccc(C[NH2+]CCN(C)C(=O)CC2CC(C)(C)C2)cc1C ZINC001691444645 1405272667 /nfs/dbraw/zinc/27/26/67/1405272667.db2.gz PPZKSOLRJVLBFP-UHFFFAOYSA-N 1 0 332.488 3.378 10 10 EGCERO CCC[NH2+][C@@H](C)C1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC001691696379 1405429571 /nfs/dbraw/zinc/42/95/71/1405429571.db2.gz USEVPOREMNGUTA-ZDUSSCGKSA-N 1 0 345.447 3.089 10 10 EGCERO CC[C@@H](CNC(=O)C[C@@H]1C=CCC1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001732193680 1428445252 /nfs/dbraw/zinc/44/52/52/1428445252.db2.gz XPYOQNKCADGLOP-AEFFLSMTSA-N 1 0 330.472 3.344 10 10 EGCERO CC[C@@H](CNC(=O)[C@@H]1C[C@H]1C1CCC1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001732215129 1428463077 /nfs/dbraw/zinc/46/30/77/1428463077.db2.gz NDDHKIUPTDUDFF-GBESFXJTSA-N 1 0 344.499 3.424 10 10 EGCERO COc1ccc(C[NH2+]C/C=C\CNC(=O)C2C(C)(C)C2(C)C)cc1C ZINC001699242946 1412594120 /nfs/dbraw/zinc/59/41/20/1412594120.db2.gz MWNGUQVPYFAROY-FPLPWBNLSA-N 1 0 344.499 3.448 10 10 EGCERO COc1ccc(C[NH2+]CC[C@@H]2CCN(C(=O)C3CCC3)C2)cc1C ZINC001700046593 1413470870 /nfs/dbraw/zinc/47/08/70/1413470870.db2.gz OAQATZFUSUFNNF-MRXNPFEDSA-N 1 0 330.472 3.132 10 10 EGCERO COc1ccc(C[NH2+][C@@H](CNC(=O)c2ccsn2)C(C)C)cc1C ZINC001732559082 1428747656 /nfs/dbraw/zinc/74/76/56/1428747656.db2.gz UDJTUAILJKGFCD-INIZCTEOSA-N 1 0 347.484 3.004 10 10 EGCERO COc1ccc(C[NH2+][C@@H](C)[C@H](C)NC(=O)CCC(F)F)cc1C ZINC001700407691 1413945441 /nfs/dbraw/zinc/94/54/41/1413945441.db2.gz GBFKCTVEUBJGRB-STQMWFEESA-N 1 0 328.403 3.032 10 10 EGCERO COc1ccc(C[NH2+]C[C@H](C)NC(=O)CCCC(F)(F)F)cc1C ZINC001733013215 1429132372 /nfs/dbraw/zinc/13/23/72/1429132372.db2.gz MCGWMPZWSKWTMK-ZDUSSCGKSA-N 1 0 346.393 3.331 10 10 EGCERO COc1ccc(C[NH2+]C[C@H](C)NC(=O)c2ncoc2C(C)C)cc1C ZINC001733018872 1429138071 /nfs/dbraw/zinc/13/80/71/1429138071.db2.gz IYWXJKWRXOZBFQ-AWEZNQCLSA-N 1 0 345.443 3.023 10 10 EGCERO COc1ccc(C[NH2+][C@H](CNC(=O)C2(C)CCC2)C2CC2)cc1C ZINC001713872344 1418669132 /nfs/dbraw/zinc/66/91/32/1418669132.db2.gz PMVPQTQDHATGHU-QGZVFWFLSA-N 1 0 330.472 3.178 10 10 EGCERO COc1ccc(C[NH2+]CC2(NC(=O)C3CCC3)CCCC2)cc1C ZINC001714126343 1418931071 /nfs/dbraw/zinc/93/10/71/1418931071.db2.gz MLNMSPBRSJHTAO-UHFFFAOYSA-N 1 0 330.472 3.322 10 10 EGCERO COc1ccc(C[NH2+][C@H](C)CNC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)cc1C ZINC001714234800 1419025664 /nfs/dbraw/zinc/02/56/64/1419025664.db2.gz MXYNMRJDCLKBRJ-ZAWLATJESA-N 1 0 342.483 3.200 10 10 EGCERO CC[C@@H](CNC(=O)C1CC2(CC2)C1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001715079436 1419814779 /nfs/dbraw/zinc/81/47/79/1419814779.db2.gz JBDRDHINYVQLIU-KRWDZBQOSA-N 1 0 330.472 3.178 10 10 EGCERO COc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)CCC(F)F)cc1C ZINC001715211024 1419944218 /nfs/dbraw/zinc/94/42/18/1419944218.db2.gz NSCYZIQFTRLWHQ-OAHLLOKOSA-N 1 0 340.414 3.130 10 10 EGCERO COc1ccc(C[NH2+]CC[C@@H](C)NC(=O)[C@H](C)C(C)(F)F)cc1C ZINC001715685840 1420294062 /nfs/dbraw/zinc/29/40/62/1420294062.db2.gz VKKZPWGTJCUHIZ-KGLIPLIRSA-N 1 0 342.430 3.279 10 10 EGCERO COc1ccc(C[NH2+]CC[C@@H](C)NC(=O)Cc2ccc(C)o2)cc1C ZINC001716132167 1420536766 /nfs/dbraw/zinc/53/67/66/1420536766.db2.gz DKBWPFDXWXZLSZ-OAHLLOKOSA-N 1 0 344.455 3.132 10 10 EGCERO COc1ccc(C[NH2+]CCCN(C)C(=O)Cc2ccccc2)cc1C ZINC001716548838 1420757532 /nfs/dbraw/zinc/75/75/32/1420757532.db2.gz FQKPBQOAKWKUGK-UHFFFAOYSA-N 1 0 340.467 3.184 10 10 EGCERO CC[C@@H](C)[C@H](C)C(=O)NCC1([NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC001716697365 1420849835 /nfs/dbraw/zinc/84/98/35/1420849835.db2.gz PUGQDHJNYYJMFR-ZBFHGGJFSA-N 1 0 332.488 3.424 10 10 EGCERO COc1ccc(C[NH2+]C2(CNC(=O)CCC3CC3)CCC2)cc1C ZINC001717148221 1421140148 /nfs/dbraw/zinc/14/01/48/1421140148.db2.gz HHMKZHAWMGAZEV-UHFFFAOYSA-N 1 0 330.472 3.322 10 10 EGCERO COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]2C[C@H]2C2CCC2)cc1C ZINC001717745998 1421609365 /nfs/dbraw/zinc/60/93/65/1421609365.db2.gz JAAIQFBIXIUZHX-ZYSHUDEJSA-N 1 0 344.499 3.376 10 10 EGCERO COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)C[C@@H]2C=CCC2)cc1C ZINC001725479596 1426154801 /nfs/dbraw/zinc/15/48/01/1426154801.db2.gz NODLEPYDMJZMJE-DLBZAZTESA-N 1 0 330.472 3.296 10 10 EGCERO CC[C@@H]1C[C@H]1C(=O)NCC1([NH2+]Cc2ccc(OC)c(C)c2)CCC1 ZINC001733723356 1429946906 /nfs/dbraw/zinc/94/69/06/1429946906.db2.gz HOBDGDPARCBGLC-IAGOWNOFSA-N 1 0 330.472 3.178 10 10 EGCERO COc1ccc(C[NH2+][C@@H](C)[C@H](C)NC(=O)c2cnc(C)s2)cc1C ZINC001733961830 1437767236 /nfs/dbraw/zinc/76/72/36/1437767236.db2.gz BLPQDXPMRQGOHB-STQMWFEESA-N 1 0 347.484 3.065 10 10 EGCERO CC(C)CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001734428201 1438092591 /nfs/dbraw/zinc/09/25/91/1438092591.db2.gz KTBGCVKKUJMZPU-CZUORRHYSA-N 1 0 345.447 3.088 10 10 EGCERO COc1ccc(C[NH2+][C@@](C)(CO)Cc2ccccc2OC)cc1C ZINC001197305018 1126154284 /nfs/dbraw/zinc/15/42/84/1126154284.db2.gz UNKKFKMVKDIZJN-HXUWFJFHSA-N 1 0 329.440 3.096 10 10 EGCERO CCN(C)c1ccc(C[NH2+][C@@](C)(CO)Cc2ccc(F)cc2)cc1 ZINC001473839533 1126199777 /nfs/dbraw/zinc/19/97/77/1126199777.db2.gz CZSSQYBUPSKZLC-HXUWFJFHSA-N 1 0 330.447 3.365 10 10 EGCERO Fc1cc(C[NH2+][C@H]2CCc3ccccc32)ccc1N1CCOCC1 ZINC000066970552 453891349 /nfs/dbraw/zinc/89/13/49/453891349.db2.gz UTHRQDNUVKUVHN-IBGZPJMESA-N 1 0 326.415 3.439 10 10 EGCERO CCN(CC)c1ccc(C[N@@H+]2CCC[C@H](n3cncn3)C2)cc1F ZINC000119500792 454199786 /nfs/dbraw/zinc/19/97/86/454199786.db2.gz KNRIMKRBTXRXGR-INIZCTEOSA-N 1 0 331.439 3.101 10 10 EGCERO CCCn1cc(CN2CCC[N@H+](Cc3cc(C)ccc3O)CC2)cn1 ZINC000121680591 454465468 /nfs/dbraw/zinc/46/54/68/454465468.db2.gz XDXOBYYEVPBJOX-UHFFFAOYSA-N 1 0 342.487 3.015 10 10 EGCERO CCCOc1ccc(C[NH+]2CCC(OC[C@H]3CCCO3)CC2)c(O)c1 ZINC000092662255 454605253 /nfs/dbraw/zinc/60/52/53/454605253.db2.gz RZLZILUVVXYWRW-LJQANCHMSA-N 1 0 349.471 3.341 10 10 EGCERO C[C@@H]1C[C@@H]([N@H+](C)Cc2cc(Br)ccc2O)CCN1C ZINC000093643632 454725956 /nfs/dbraw/zinc/72/59/56/454725956.db2.gz UIHQMVVLLSKSJG-RISCZKNCSA-N 1 0 327.266 3.069 10 10 EGCERO c1cc(N2CCOCC2)ccc1C[NH+]1CCC(C2CCOCC2)CC1 ZINC000093705030 454730422 /nfs/dbraw/zinc/73/04/22/454730422.db2.gz NFUUFGVLFVXWGI-UHFFFAOYSA-N 1 0 344.499 3.162 10 10 EGCERO Cc1cccc(C[NH+]2CCC(NC(=O)C3CCCCC3)CC2)c1O ZINC000179899323 455095987 /nfs/dbraw/zinc/09/59/87/455095987.db2.gz XSNSZIQGIIVREW-UHFFFAOYSA-N 1 0 330.472 3.362 10 10 EGCERO C[C@@H]([NH2+]C[C@@](C)(O)c1ccccc1)c1ccc(N2CCOCC2)cc1 ZINC000264913560 455297040 /nfs/dbraw/zinc/29/70/40/455297040.db2.gz ZVQJMPCZVOOZKJ-DYESRHJHSA-N 1 0 340.467 3.082 10 10 EGCERO CCOc1ccc(O)c(C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2ccco2)c1 ZINC000245699577 455358425 /nfs/dbraw/zinc/35/84/25/455358425.db2.gz BITJDOCURUIKOG-CRAIPNDOSA-N 1 0 331.412 3.472 10 10 EGCERO [O-]c1ccc(Cl)c(F)c1C[NH2+]Cc1cccnc1-n1ccnc1 ZINC000190750589 455377793 /nfs/dbraw/zinc/37/77/93/455377793.db2.gz FYSWOUCTBDYGGA-UHFFFAOYSA-N 1 0 332.766 3.055 10 10 EGCERO Cc1cc(Cl)cc(C[NH2+][C@H]2CCO[C@]3(CCSC3)C2)c1O ZINC000182636411 455558014 /nfs/dbraw/zinc/55/80/14/455558014.db2.gz QKSYZDRWKJNLBU-GOEBONIOSA-N 1 0 327.877 3.498 10 10 EGCERO C[C@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)c1ccc(F)cc1[O-] ZINC000185573383 455579445 /nfs/dbraw/zinc/57/94/45/455579445.db2.gz YDQZHNHSTZCZPE-INIZCTEOSA-N 1 0 349.494 3.132 10 10 EGCERO CCC[N@H+](Cc1cnnn1Cc1ccccc1)Cc1ccccc1O ZINC000292647720 455722059 /nfs/dbraw/zinc/72/20/59/455722059.db2.gz XKSFDAWIVZLSLI-UHFFFAOYSA-N 1 0 336.439 3.444 10 10 EGCERO CC[C@H]([NH2+][C@@H]1CCCN(c2ncccn2)C1)c1ccc(C)cc1O ZINC000280093935 455889788 /nfs/dbraw/zinc/88/97/88/455889788.db2.gz MQWJQTBYENCXSZ-WBVHZDCISA-N 1 0 326.444 3.200 10 10 EGCERO Cc1ccc(O)c([C@H](C)[NH2+][C@H]2CCN(Cc3ccc(F)cc3)C2=O)c1 ZINC000189051149 456212576 /nfs/dbraw/zinc/21/25/76/456212576.db2.gz XCQJMPZRNNMMRP-KSSFIOAISA-N 1 0 342.414 3.291 10 10 EGCERO CCCN(CCC)c1ccc(C[N@H+](CCO)C2CCOCC2)cc1 ZINC000275690337 456287032 /nfs/dbraw/zinc/28/70/32/456287032.db2.gz ASCUIWBDQGASLS-UHFFFAOYSA-N 1 0 334.504 3.286 10 10 EGCERO C[C@H]([NH2+]C[C@H]1CCC2(CCOCC2)[C@@H]1O)c1cc(Cl)ccc1O ZINC000283002579 456686892 /nfs/dbraw/zinc/68/68/92/456686892.db2.gz GJGXHVRKVXOYBD-OGHNNQOOSA-N 1 0 339.863 3.264 10 10 EGCERO CCOc1ccc(O)c(C[N@@H+]2CC[C@@H](OCc3c(C)noc3C)C2)c1 ZINC000370728564 457708086 /nfs/dbraw/zinc/70/80/86/457708086.db2.gz BWGHPLGPCLWJJK-QGZVFWFLSA-N 1 0 346.427 3.187 10 10 EGCERO CCN(CC)C(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000435619119 458173734 /nfs/dbraw/zinc/17/37/34/458173734.db2.gz SPWSBQXELWBJAP-UHFFFAOYSA-N 1 0 327.472 3.276 10 10 EGCERO Cc1cc(C)c(C(=O)NC2CC[NH+](Cc3cccc(C)c3O)CC2)o1 ZINC000527585939 459665647 /nfs/dbraw/zinc/66/56/47/459665647.db2.gz FONBKIKKWZPODA-UHFFFAOYSA-N 1 0 342.439 3.305 10 10 EGCERO Cc1cc(Br)cc(C[NH2+][C@@H]2[C@H](C)O[C@@H](C)[C@H]2C)c1O ZINC000529669765 459832986 /nfs/dbraw/zinc/83/29/86/459832986.db2.gz PDODCIFASHSECU-ZHPDPMBESA-N 1 0 328.250 3.365 10 10 EGCERO CCOc1ccc(O)c(C[NH2+]CCCN(C(=O)C2CCC2)C2CC2)c1 ZINC000731360527 575068137 /nfs/dbraw/zinc/06/81/37/575068137.db2.gz HRZLVRYWDAGGTR-UHFFFAOYSA-N 1 0 346.471 3.062 10 10 EGCERO CN(c1ccc(C[NH2+]C[C@H](O)CC(C)(C)O)cc1)C1CCCCC1 ZINC000872199837 1296812582 /nfs/dbraw/zinc/81/25/82/1296812582.db2.gz RQHWHVGSNSLJTN-LJQANCHMSA-N 1 0 334.504 3.067 10 10 EGCERO COC(=O)c1cc(C[NH2+][C@@H](C)c2cc(OC)ccc2O)[nH]c1C(C)C ZINC000894782986 1309068848 /nfs/dbraw/zinc/06/88/48/1309068848.db2.gz ONNRDHUDYATBLS-LBPRGKRZSA-N 1 0 346.427 3.490 10 10 EGCERO COc1cccc2c1CC[C@@]2(CO)[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000895635327 1309439636 /nfs/dbraw/zinc/43/96/36/1309439636.db2.gz RUTFTTAFKUAZQA-IBGZPJMESA-N 1 0 347.842 3.286 10 10 EGCERO C[C@@H]1C[C@]2(CC[C@H](C[NH2+]Cc3ccc4ccccc4c3O)O2)CO1 ZINC000895818076 1309533202 /nfs/dbraw/zinc/53/32/02/1309533202.db2.gz BLJZGUVDDIXFOE-WIBUTAKZSA-N 1 0 327.424 3.362 10 10 EGCERO CN(C)c1ccc(/C=C/C[NH2+]CC2CCN(CC(F)F)CC2)cc1 ZINC000857784724 1328596357 /nfs/dbraw/zinc/59/63/57/1328596357.db2.gz UAUYVDPJFLAZAW-ONEGZZNKSA-N 1 0 337.458 3.333 10 10 EGCERO C[C@H](O)[C@H]([NH2+]Cc1c(O)cccc1Br)c1ccccc1 ZINC000858195737 1328709551 /nfs/dbraw/zinc/70/95/51/1328709551.db2.gz AQWMSZLEIHDSJM-ZBEGNZNMSA-N 1 0 336.229 3.366 10 10 EGCERO CCN(C)c1ccc([C@H](C)[NH2+]CC(C)(C)C(=O)N2CCCC2)cc1 ZINC000858539507 1328791808 /nfs/dbraw/zinc/79/18/08/1328791808.db2.gz FPAALUFJJSGJAL-INIZCTEOSA-N 1 0 331.504 3.442 10 10 EGCERO C[C@H]([NH2+][C@@H]1CO[C@@H](C2CC2)C1)c1cc(Br)ccc1O ZINC000858548941 1328793101 /nfs/dbraw/zinc/79/31/01/1328793101.db2.gz XOBIMQKRLPWXOU-ONENECBXSA-N 1 0 326.234 3.373 10 10 EGCERO CC(C)(C)OC(=O)N1CCC[N@H+](Cc2cc3c(cc2O)CCC3)CC1 ZINC000917491037 1319820454 /nfs/dbraw/zinc/82/04/54/1319820454.db2.gz OBOKVYADCGLPNJ-UHFFFAOYSA-N 1 0 346.471 3.324 10 10 EGCERO C[C@H]([NH2+]Cc1cc(CO)ccc1F)c1ccc(N2CCOCC2)cc1 ZINC000859230138 1328952279 /nfs/dbraw/zinc/95/22/79/1328952279.db2.gz RYNPTYUKKBNPKZ-HNNXBMFYSA-N 1 0 344.430 3.005 10 10 EGCERO CC(C)O[C@@]1(C[NH2+]Cc2ccc(N3CCCCC3)cc2)CCOC1 ZINC000922611333 1322570637 /nfs/dbraw/zinc/57/06/37/1322570637.db2.gz ZTYVRTSKMSADMR-HXUWFJFHSA-N 1 0 332.488 3.351 10 10 EGCERO C[C@@H]1COC2(CCCC2)C[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000931056072 1329037914 /nfs/dbraw/zinc/03/79/14/1329037914.db2.gz ITIYSUHJHDCKEJ-QGZVFWFLSA-N 1 0 330.472 3.057 10 10 EGCERO Cc1cc(O)c(C[NH2+]C[C@H]2CCC3(CCOCC3)O2)c(Cl)c1 ZINC000922811093 1322624888 /nfs/dbraw/zinc/62/48/88/1322624888.db2.gz NRWDTWNHCMRXND-CYBMUJFWSA-N 1 0 325.836 3.172 10 10 EGCERO COc1ccc(N2CCC([NH2+]C3CC4(C3)CO[C@H](C)C4)CC2)cc1 ZINC000924908654 1323208982 /nfs/dbraw/zinc/20/89/82/1323208982.db2.gz XAMHFZRQESPIBD-XRTORIHISA-N 1 0 330.472 3.211 10 10 EGCERO Cc1cc(N(C)C)ccc1C[NH2+]C1CC(CNC(=O)OC(C)(C)C)C1 ZINC000925080636 1323270180 /nfs/dbraw/zinc/27/01/80/1323270180.db2.gz NNRFZUOCRGSPBT-UHFFFAOYSA-N 1 0 347.503 3.454 10 10 EGCERO COC[C@@]1(C)C[N@H+](Cc2ccc(N3CCCCC3)c(C)c2)CCO1 ZINC000860202086 1329172454 /nfs/dbraw/zinc/17/24/54/1329172454.db2.gz OHFZJLVHUWPZGI-HXUWFJFHSA-N 1 0 332.488 3.223 10 10 EGCERO C[C@H](N[C@@H]1C[NH2+]CC2(CCOCC2)C1)c1cc2c(cc1O)CCCC2 ZINC000925795391 1325305145 /nfs/dbraw/zinc/30/51/45/1325305145.db2.gz XOKRVTPBJQXTOW-YJBOKZPZSA-N 1 0 344.499 3.080 10 10 EGCERO C[C@@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)c1cc(Br)c(F)cc1[O-] ZINC000925882525 1325342459 /nfs/dbraw/zinc/34/24/59/1325342459.db2.gz OEFXXSOGIRGAOJ-BBBLOLIVSA-N 1 0 331.229 3.072 10 10 EGCERO COc1ccc(N2CC[C@H](C[NH2+][C@H](C3CC3)[C@@H]3CCCOC3)C2)cc1 ZINC000926609997 1327634526 /nfs/dbraw/zinc/63/45/26/1327634526.db2.gz BTAPMOZUNDEBCQ-HGHGUNKESA-N 1 0 344.499 3.316 10 10 EGCERO Cc1ccc([C@H](C)[NH2+]C[C@@H]2[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)c(O)c1 ZINC000926988636 1327809543 /nfs/dbraw/zinc/80/95/43/1327809543.db2.gz PHYQQCPXTHFKTG-QSPRXWTASA-N 1 0 346.471 3.464 10 10 EGCERO Oc1cccc2c1[C@@H]([NH2+]CC1(n3cc(Br)cn3)CC1)CC2 ZINC000927006473 1327818265 /nfs/dbraw/zinc/81/82/65/1327818265.db2.gz SJZOJDJKCJRWTH-ZDUSSCGKSA-N 1 0 348.244 3.117 10 10 EGCERO CCC[C@H](O)CC[NH2+][C@@H](C)c1cc(Br)cc(OC)c1O ZINC000927025898 1327824711 /nfs/dbraw/zinc/82/47/11/1327824711.db2.gz YXEFSJSYCXXHRR-JQWIXIFHSA-N 1 0 346.265 3.365 10 10 EGCERO C[C@@H]([NH2+][C@@H]1CCc2nnn(C)c2C1)c1ccc(N2CCCCC2)cc1 ZINC000927144236 1327890398 /nfs/dbraw/zinc/89/03/98/1327890398.db2.gz DLOSOAAKXVMUHF-NVXWUHKLSA-N 1 0 339.487 3.014 10 10 EGCERO COc1ccc(N2CC[C@H]([NH2+][C@@H](C)CCc3cccnc3)C2)cc1 ZINC000866384356 1330104612 /nfs/dbraw/zinc/10/46/12/1330104612.db2.gz AITCOOGOYSXUPS-WMZOPIPTSA-N 1 0 325.456 3.280 10 10 EGCERO C[C@H]([NH2+]CC[C@H](O)C(F)F)c1ccc(N2CCCCC2)c(F)c1 ZINC000866442167 1330112770 /nfs/dbraw/zinc/11/27/70/1330112770.db2.gz FWUSGGVGRZLWQN-LRDDRELGSA-N 1 0 330.394 3.483 10 10 EGCERO C[C@@H]([NH2+]CCC1(O)CCN(c2ccccc2)CC1)c1ccccc1O ZINC000866443389 1330113326 /nfs/dbraw/zinc/11/33/26/1330113326.db2.gz LLAZMTZBXVXIPP-QGZVFWFLSA-N 1 0 340.467 3.464 10 10 EGCERO COc1ccc(O)c([C@H](C)[NH2+]CCc2cn(C)c3ncccc23)c1 ZINC000866574204 1330128760 /nfs/dbraw/zinc/12/87/60/1330128760.db2.gz SKPJNBCAERSDGQ-ZDUSSCGKSA-N 1 0 325.412 3.181 10 10 EGCERO COc1ccc(O)c([C@H](C)NC(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)c1 ZINC000868186581 1330260208 /nfs/dbraw/zinc/26/02/08/1330260208.db2.gz OVJFFKFHWSBYFN-MZPVMMEZSA-N 1 0 341.411 3.098 10 10 EGCERO CN(C)c1ccc(/C=C\C[N@@H+]2CCC[C@@H](Cc3nccn3C)C2)cc1 ZINC001117830208 1371097556 /nfs/dbraw/zinc/09/75/56/1371097556.db2.gz ANGNZHZTKSKDRE-UTSMFGRCSA-N 1 0 338.499 3.454 10 10 EGCERO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]C[C@@H](C)N1C[C@@H](C)O[C@@H](C)C1 ZINC001118325256 1371163637 /nfs/dbraw/zinc/16/36/37/1371163637.db2.gz GCUKTUGXHKCQBD-OVYGPGRDSA-N 1 0 332.488 3.336 10 10 EGCERO Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2[NH2+]Cc1ccnc(-n2cncn2)c1 ZINC001118933865 1371253057 /nfs/dbraw/zinc/25/30/57/1371253057.db2.gz UZNJFLLPNIYDGO-ZFWWWQNUSA-N 1 0 335.411 3.014 10 10 EGCERO CCN(CC)c1ccc(CNC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)cc1F ZINC001136730158 1377418131 /nfs/dbraw/zinc/41/81/31/1377418131.db2.gz FEBAVLNMVHAUDC-VQIMIIECSA-N 1 0 347.478 3.305 10 10 EGCERO CCOC(=O)CC(C)(C)CC(=O)C(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC001297562945 1383185361 /nfs/dbraw/zinc/18/53/61/1383185361.db2.gz UIKGSZVKFGJIAE-MRXNPFEDSA-N 1 0 347.455 3.187 10 10 EGCERO CN(C)c1ccc(CNC(=O)C[N@H+](CC2CCCCC2)C2CC2)cc1 ZINC001167100873 1383538986 /nfs/dbraw/zinc/53/89/86/1383538986.db2.gz PHRNPTVFRFPKSC-UHFFFAOYSA-N 1 0 343.515 3.414 10 10 EGCERO CC[N@H+](CCCNC(=O)c1ccc(C)c(O)c1O)C1CCCCC1 ZINC001300339522 1383660220 /nfs/dbraw/zinc/66/02/20/1383660220.db2.gz YWKLZYLGAGSEAE-UHFFFAOYSA-N 1 0 334.460 3.181 10 10 EGCERO O=C(Cc1ccc(O)c(O)c1)Nc1ccc(C[NH+]2CCCCC2)cc1 ZINC001302916953 1383772866 /nfs/dbraw/zinc/77/28/66/1383772866.db2.gz STNAAMKJZCBJLF-UHFFFAOYSA-N 1 0 340.423 3.265 10 10 EGCERO COc1ccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)C2(F)CCCC2)cc1C ZINC001329066357 1388951973 /nfs/dbraw/zinc/95/19/73/1388951973.db2.gz DTVRFCRKYQSPPE-HUUCEWRRSA-N 1 0 336.451 3.269 10 10 EGCERO COc1ccc(C[NH2+][C@H](C)CNC(=O)C2C(C)(C)C2(C)C)cc1C ZINC001317230424 1385008610 /nfs/dbraw/zinc/00/86/10/1385008610.db2.gz AHHVBZWOYBNPRM-CQSZACIVSA-N 1 0 332.488 3.280 10 10 EGCERO COc1ccc(C[NH2+][C@@H](C)CNC(=O)CC2CC(C)(C)C2)cc1C ZINC001317262501 1385032072 /nfs/dbraw/zinc/03/20/72/1385032072.db2.gz BAPDGOAUQOHALJ-HNNXBMFYSA-N 1 0 332.488 3.424 10 10 EGCERO COc1ccc(C[NH2+][C@H](C)CNC(=O)c2ccc(F)cc2F)cc1C ZINC001317283323 1385054681 /nfs/dbraw/zinc/05/46/81/1385054681.db2.gz ZJHAVVDVRPPSDS-CYBMUJFWSA-N 1 0 348.393 3.190 10 10 EGCERO COc1ccc(C[NH2+]C[C@@H](C)CNC(=O)C(C)(C)C(F)F)cc1C ZINC001319238888 1386019824 /nfs/dbraw/zinc/01/98/24/1386019824.db2.gz YBIDMLBMFNJSEJ-GFCCVEGCSA-N 1 0 342.430 3.137 10 10 EGCERO COc1ccc(C[NH2+]C[C@H](C)NC(=O)c2cc(C(C)C)on2)cc1C ZINC001321936755 1387012397 /nfs/dbraw/zinc/01/23/97/1387012397.db2.gz ACDXCIILQICKBR-AWEZNQCLSA-N 1 0 345.443 3.023 10 10 EGCERO C[C@@H]([NH2+]C[C@](C)(O)C(F)(F)C(F)(F)F)c1ccc(N(C)C)cc1 ZINC001332924044 1390217491 /nfs/dbraw/zinc/21/74/91/1390217491.db2.gz VUPYTVZUDSDTLD-MFKMUULPSA-N 1 0 340.336 3.352 10 10 EGCERO COc1ccc(C[NH2+]C2CC(N(C)C(=O)CCC3CC3)C2)cc1C ZINC001333048145 1390241748 /nfs/dbraw/zinc/24/17/48/1390241748.db2.gz DUWJWSLZILCHHX-UHFFFAOYSA-N 1 0 330.472 3.273 10 10 EGCERO CC/C(C)=C\C(=O)N(C)C1CC([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001333060874 1390243749 /nfs/dbraw/zinc/24/37/49/1390243749.db2.gz GXIIYERNSOFTCB-ZROIWOOFSA-N 1 0 330.472 3.439 10 10 EGCERO COc1ccc(CC[NH2+]Cc2ccc(N3CCCCC3)cc2)cn1 ZINC001351344260 1391629513 /nfs/dbraw/zinc/62/95/13/1391629513.db2.gz ZLEADHIZWIVQHQ-UHFFFAOYSA-N 1 0 325.456 3.413 10 10 EGCERO C[C@@H](C[NH2+]CC1CCCC1)N(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001698864455 1406576983 /nfs/dbraw/zinc/57/69/83/1406576983.db2.gz VFXWZTIAHIAPBN-ZDUSSCGKSA-N 1 0 345.447 3.089 10 10 EGCERO C[C@H](C[NH2+]CC1CCCC1)N(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001698864454 1406577029 /nfs/dbraw/zinc/57/70/29/1406577029.db2.gz VFXWZTIAHIAPBN-CYBMUJFWSA-N 1 0 345.447 3.089 10 10 EGCERO COc1ccc(C[NH2+][C@H](C)CNC(=O)Cc2cccc(C)c2)cc1C ZINC001480528469 1392779772 /nfs/dbraw/zinc/77/97/72/1392779772.db2.gz PHZIUIMESFZLBV-QGZVFWFLSA-N 1 0 340.467 3.149 10 10 EGCERO COc1ccc(C[NH2+][C@@H](C)CNC(=O)c2c(C)cccc2F)cc1C ZINC001480605487 1392817397 /nfs/dbraw/zinc/81/73/97/1392817397.db2.gz XGCXWEJBFASZJY-HNNXBMFYSA-N 1 0 344.430 3.359 10 10 EGCERO COc1ccc(C[NH2+]C2(CNC(=O)C3(C)CC3)CCCC2)cc1C ZINC001482219836 1394813339 /nfs/dbraw/zinc/81/33/39/1394813339.db2.gz OXPGKFSRIREMFM-UHFFFAOYSA-N 1 0 330.472 3.322 10 10 EGCERO COc1ccc(C[NH2+]C[C@]2(C)CCN(C(=O)C(C)(C)F)C2)cc1C ZINC001484074539 1395236477 /nfs/dbraw/zinc/23/64/77/1395236477.db2.gz NSGGDBHIOHLFJZ-IBGZPJMESA-N 1 0 336.451 3.080 10 10 EGCERO COc1ccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)c2ccncc2C)cc1C ZINC001485148589 1395668573 /nfs/dbraw/zinc/66/85/73/1395668573.db2.gz UVPRNMFAVWEISC-JKSUJKDBSA-N 1 0 341.455 3.004 10 10 EGCERO COc1ccc(C[NH2+][C@H](CNC(=O)[C@H]2CC2(C)C)C2CC2)cc1C ZINC001690149653 1404348750 /nfs/dbraw/zinc/34/87/50/1404348750.db2.gz OWBIBKJCFFHZBA-IAGOWNOFSA-N 1 0 330.472 3.034 10 10 EGCERO COc1ccc(C[NH2+][C@@H](CNC(=O)C2CC3(CC3)C2)C2CC2)cc1C ZINC001690168476 1404367173 /nfs/dbraw/zinc/36/71/73/1404367173.db2.gz GGNDJUBHKGCWQK-SFHVURJKSA-N 1 0 342.483 3.178 10 10 EGCERO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)CCC3(C)CC3)C2)cc1C ZINC001690361696 1404495361 /nfs/dbraw/zinc/49/53/61/1404495361.db2.gz CVCGJEGBXGBJRR-CALCHBBNSA-N 1 0 330.472 3.321 10 10 EGCERO COc1ccc(C[NH2+]CCN(C)C(=O)[C@@H]2CCC[C@@H](C)C2)cc1C ZINC001691453950 1405278374 /nfs/dbraw/zinc/27/83/74/1405278374.db2.gz OJCBTXFTLJHFGD-CRAIPNDOSA-N 1 0 332.488 3.378 10 10 EGCERO COc1ccc(C[NH2+]C[C@@H](C)CNC(=O)[C@H](C)C(F)(F)F)cc1C ZINC001732356769 1428546440 /nfs/dbraw/zinc/54/64/40/1428546440.db2.gz ZKQPTGJMJIQLFZ-YPMHNXCESA-N 1 0 346.393 3.044 10 10 EGCERO COc1ccc(C[NH2+]C/C=C\CNC(=O)C2CC3(CCC3)C2)cc1C ZINC001699293979 1412619619 /nfs/dbraw/zinc/61/96/19/1412619619.db2.gz HQHHTRHBLJEPNC-ARJAWSKDSA-N 1 0 342.483 3.346 10 10 EGCERO COc1ccc(C[NH2+]C/C=C\CNC(=O)C(C)=C2CCC2)cc1C ZINC001732848851 1429008280 /nfs/dbraw/zinc/00/82/80/1429008280.db2.gz OTRZFXOJTDJHQU-PLNGDYQASA-N 1 0 328.456 3.266 10 10 EGCERO COc1ccc(C[NH2+][C@H](CNC(=O)CC(C)(F)F)C2CC2)cc1C ZINC001713117864 1417683674 /nfs/dbraw/zinc/68/36/74/1417683674.db2.gz DKKPRZMOVGKSTM-OAHLLOKOSA-N 1 0 340.414 3.033 10 10 EGCERO COc1ccc(C[NH2+][C@H](C)CNC(=O)c2ccc(F)cc2)cc1C ZINC001713293529 1417921464 /nfs/dbraw/zinc/92/14/64/1417921464.db2.gz LSACZWYGYNZPPT-CQSZACIVSA-N 1 0 330.403 3.051 10 10 EGCERO COc1ccc(C[NH2+][C@H](C)CNC(=O)c2ccc(Cl)o2)cc1C ZINC001713296800 1417924029 /nfs/dbraw/zinc/92/40/29/1417924029.db2.gz OJQBLVDQWMMYDV-GFCCVEGCSA-N 1 0 336.819 3.158 10 10 EGCERO CC[C@@H](CNC(=O)[C@@H]1C[C@H]1C1CC1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001715072843 1419807766 /nfs/dbraw/zinc/80/77/66/1419807766.db2.gz HBOASXIDPIGQNV-OKZBNKHCSA-N 1 0 330.472 3.034 10 10 EGCERO CCN(CC[NH2+]CCC(C)(C)C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001716258184 1420586340 /nfs/dbraw/zinc/58/63/40/1420586340.db2.gz SWFGGJLEUNLOSN-UHFFFAOYSA-N 1 0 347.463 3.337 10 10 EGCERO COc1ccc(C[NH2+]C/C=C\CNC(=O)/C=C(/C)C2CC2)cc1C ZINC001716271642 1420589810 /nfs/dbraw/zinc/58/98/10/1420589810.db2.gz CHTSUUIQQZGMHI-HLMDAQROSA-N 1 0 328.456 3.122 10 10 EGCERO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)C[C@H](C)C(F)(F)F)cc1C ZINC001716410870 1420640899 /nfs/dbraw/zinc/64/08/99/1420640899.db2.gz MSDCZYQSPSGLIX-QWHCGFSZSA-N 1 0 346.393 3.186 10 10 EGCERO COc1ccc(C[NH2+][C@@H](C)[C@H](C)NC(=O)C(C)(C)C2CC2)cc1C ZINC001717425412 1421354767 /nfs/dbraw/zinc/35/47/67/1421354767.db2.gz RKDQCCILQDUNNV-GJZGRUSLSA-N 1 0 332.488 3.423 10 10 EGCERO COc1ccc(C[NH2+]CCCN(C)C(=O)C2(CF)CCC2)cc1C ZINC001723125250 1424303414 /nfs/dbraw/zinc/30/34/14/1424303414.db2.gz CNKMCSDVDNDXOH-UHFFFAOYSA-N 1 0 336.451 3.082 10 10 EGCERO CCC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001731297275 1427239874 /nfs/dbraw/zinc/23/98/74/1427239874.db2.gz MGTVFJOJABOLBA-CJNGLKHVSA-N 1 0 345.447 3.232 10 10 EGCERO COc1ccc(C[NH2+][C@H](C)CNC(=O)[C@@H]2CCCC2(C)C)cc1C ZINC001731612614 1427658555 /nfs/dbraw/zinc/65/85/55/1427658555.db2.gz NIPBZKXHMQAWGH-WBVHZDCISA-N 1 0 332.488 3.424 10 10 EGCERO COc1ccc(C[NH2+]C2(CNC(=O)C3CCCC3)CCC2)cc1C ZINC001733711163 1429927182 /nfs/dbraw/zinc/92/71/82/1429927182.db2.gz CTRLXFIANFUCRI-UHFFFAOYSA-N 1 0 330.472 3.322 10 10 EGCERO CCCC[C@H](C[NH2+]C(C)C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001734099298 1437883151 /nfs/dbraw/zinc/88/31/51/1437883151.db2.gz FRSOLCRZRDXTOL-OAHLLOKOSA-N 1 0 333.436 3.136 10 10 EGCERO CN1CC[NH+](Cc2c(O)ccc3cc(Br)ccc32)CC1 ZINC000022038760 277108937 /nfs/dbraw/zinc/10/89/37/277108937.db2.gz AWPWKYKUKZMFHZ-UHFFFAOYSA-N 1 0 335.245 3.055 10 10 EGCERO CCOc1ccc(O)c(C[N@@H+]2CCC[C@H](n3ccnc3CC)C2)c1 ZINC000122938595 454584810 /nfs/dbraw/zinc/58/48/10/454584810.db2.gz WGRVHWFNGLJEKX-INIZCTEOSA-N 1 0 329.444 3.387 10 10 EGCERO CCOc1cccc(C[N@@H+]2CC[C@@H](CNc3cccc(C)n3)C2)c1O ZINC000092813180 454639993 /nfs/dbraw/zinc/63/99/93/454639993.db2.gz LJJUNKRFDNWDIF-INIZCTEOSA-N 1 0 341.455 3.428 10 10 EGCERO C[C@@H]1C[C@H]([N@H+](C)Cc2cc(Br)ccc2O)CCN1C ZINC000093643630 454725837 /nfs/dbraw/zinc/72/58/37/454725837.db2.gz UIHQMVVLLSKSJG-BXUZGUMPSA-N 1 0 327.266 3.069 10 10 EGCERO C[C@@H]1CN(C2CC[NH+](Cc3c(O)ccc4ccccc43)CC2)CCO1 ZINC000151996456 455059128 /nfs/dbraw/zinc/05/91/28/455059128.db2.gz TXGWMHGWAURPMY-MRXNPFEDSA-N 1 0 340.467 3.231 10 10 EGCERO Cc1csc(C2CC[NH+](Cc3cc4c(cc3O)OCO4)CC2)n1 ZINC000156545148 455131082 /nfs/dbraw/zinc/13/10/82/455131082.db2.gz JMQILHPLLQOACT-UHFFFAOYSA-N 1 0 332.425 3.265 10 10 EGCERO Cc1cc(Cl)cc(C[N@H+]2CCC[C@@H]([C@@H](O)c3nccn3C)C2)c1O ZINC000245867632 455387908 /nfs/dbraw/zinc/38/79/08/455387908.db2.gz QQROPMZVNSGDAB-CXAGYDPISA-N 1 0 349.862 3.033 10 10 EGCERO C[C@H]([NH2+][C@@H]1CCN(C(=O)C2CCCCC2)C1)c1cc(F)ccc1O ZINC000185763968 455616928 /nfs/dbraw/zinc/61/69/28/455616928.db2.gz DTSRSKNVHVOHKT-XJKSGUPXSA-N 1 0 334.435 3.363 10 10 EGCERO C[C@H]([NH2+][C@@H](CO)C[C@@H](O)C(C)(C)C)c1ccc(N2CCCCC2)cc1 ZINC000284278460 455661948 /nfs/dbraw/zinc/66/19/48/455661948.db2.gz HJWLNPVGKWDDQX-ILZDJORESA-N 1 0 348.531 3.486 10 10 EGCERO CC(C)c1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1cc(Cl)ccc1O)CC2 ZINC000185996487 455670765 /nfs/dbraw/zinc/67/07/65/455670765.db2.gz HJGJXBFUEMSCGN-WCQYABFASA-N 1 0 334.851 3.426 10 10 EGCERO Cc1nc2n(n1)CCC[C@H]2[NH2+][C@H](C)c1cc2c(cc1O)CCCC2 ZINC000186096885 455693521 /nfs/dbraw/zinc/69/35/21/455693521.db2.gz WALQAHQNRZZTQD-SJKOYZFVSA-N 1 0 326.444 3.357 10 10 EGCERO CC[C@H]([NH2+][C@H](C)c1cc(Br)ccc1O)[C@@H](O)C(F)F ZINC000296307012 455905573 /nfs/dbraw/zinc/90/55/73/455905573.db2.gz GEKCYGNMJPVNTL-INNHCVQGSA-N 1 0 338.192 3.210 10 10 EGCERO CCOCc1nc([C@@H](C)N[C@H](CC)c2ccc(N(C)C)cc2)no1 ZINC000290131361 456248028 /nfs/dbraw/zinc/24/80/28/456248028.db2.gz JZGPWPOMTKSSOR-CZUORRHYSA-N 1 0 332.448 3.474 10 10 EGCERO C[C@H]([NH2+]C[C@H]1CCC2(CCOCC2)[C@H]1O)c1cc(Cl)ccc1O ZINC000283002576 456685902 /nfs/dbraw/zinc/68/59/02/456685902.db2.gz GJGXHVRKVXOYBD-AHIWAGSCSA-N 1 0 339.863 3.264 10 10 EGCERO O=[N+]([O-])c1cc(Cl)cc(C[NH2+]C2CC([NH+]3CCCCC3)C2)c1[O-] ZINC000366283479 457804450 /nfs/dbraw/zinc/80/44/50/457804450.db2.gz MYBKSJCIEDHWSE-UHFFFAOYSA-N 1 0 339.823 3.060 10 10 EGCERO CC(C)CNC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000435647796 458179834 /nfs/dbraw/zinc/17/98/34/458179834.db2.gz VVUAVLIZRARFAM-UHFFFAOYSA-N 1 0 327.472 3.180 10 10 EGCERO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H](c3ccnc(N)n3)C2)cc1 ZINC000377696561 458511214 /nfs/dbraw/zinc/51/12/14/458511214.db2.gz NWPLHJVWSSEZDL-QGZVFWFLSA-N 1 0 339.487 3.115 10 10 EGCERO COc1ccc(CN2CC[C@@H]2C[NH2+]Cc2cc(Cl)ccc2O)cc1 ZINC000527774048 459731935 /nfs/dbraw/zinc/73/19/35/459731935.db2.gz PEYVQPUWFNUQCU-QGZVFWFLSA-N 1 0 346.858 3.418 10 10 EGCERO CCN(CC)c1ccc(C[NH2+][C@@H]2CCN(c3ccccc3)C2=O)cc1 ZINC000731678726 575199611 /nfs/dbraw/zinc/19/96/11/575199611.db2.gz JJXJXXPQAXMFRK-HXUWFJFHSA-N 1 0 337.467 3.428 10 10 EGCERO O=C([C@@H]1CCC[N@@H+](Cc2c(O)ccc3ccccc32)C1)N1CCCC1 ZINC000732191172 575243428 /nfs/dbraw/zinc/24/34/28/575243428.db2.gz OKFZCTLKUYOSPT-QGZVFWFLSA-N 1 0 338.451 3.380 10 10 EGCERO C[NH+]1CCC2(CC1)CN(C(=O)C1=CC(=O)CS1)Cc1ccccc12 ZINC000870185875 1295723991 /nfs/dbraw/zinc/72/39/91/1295723991.db2.gz VUSJVNDYQLAPTF-UHFFFAOYSA-N 1 0 342.464 3.073 10 10 EGCERO CN(C)c1ccc(C[NH2+][C@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1 ZINC000237094008 1296219716 /nfs/dbraw/zinc/21/97/16/1296219716.db2.gz ASQGPVJLXIXRTP-INIZCTEOSA-N 1 0 333.476 3.242 10 10 EGCERO CC[C@H]([NH2+]C[C@@H]1CCN(c2ccc(OC)cc2)C1)[C@@H]1CCCOC1 ZINC000872080840 1296722965 /nfs/dbraw/zinc/72/29/65/1296722965.db2.gz SRIRPKAIKDVNPZ-QKLQHJQFSA-N 1 0 332.488 3.316 10 10 EGCERO COc1cc(O)c(C[N@@H+]2CCC[C@@H](OC3CCC3)CC2)cc1OC ZINC000872262275 1296864679 /nfs/dbraw/zinc/86/46/79/1296864679.db2.gz WOOMXLZJLBASKF-MRXNPFEDSA-N 1 0 335.444 3.333 10 10 EGCERO CC[N@H+](Cc1cc(Br)cc(C)c1O)C1CCOCC1 ZINC000716482401 1298300857 /nfs/dbraw/zinc/30/08/57/1298300857.db2.gz QERCYSIDFPTIEV-UHFFFAOYSA-N 1 0 328.250 3.464 10 10 EGCERO Cc1cc(Br)cc(C[N@@H+]2CC[C@H]3OCC[C@@H]3C2)c1O ZINC000724814346 1298348490 /nfs/dbraw/zinc/34/84/90/1298348490.db2.gz NFNFISFJKMLTKZ-BXUZGUMPSA-N 1 0 326.234 3.074 10 10 EGCERO COc1cc(C)cc(C[NH2+][C@@H](c2nnc3ccccn32)C(C)C)c1O ZINC000894388639 1306372104 /nfs/dbraw/zinc/37/21/04/1306372104.db2.gz IUXYGLNTZWKYJR-QGZVFWFLSA-N 1 0 340.427 3.239 10 10 EGCERO COc1cc(C)cc(C[N@@H+]2C[C@@H](c3ccccc3)[C@@](F)(CO)C2)c1O ZINC000894882048 1309112944 /nfs/dbraw/zinc/11/29/44/1309112944.db2.gz UOMAVBXHCRHQJN-PXNSSMCTSA-N 1 0 345.414 3.009 10 10 EGCERO COc1ccc(N(C)CC[N@H+](C)Cc2cnc3onc(C)c3c2)cc1 ZINC000895138414 1309206036 /nfs/dbraw/zinc/20/60/36/1309206036.db2.gz VEHZSYHSLCOCNQ-UHFFFAOYSA-N 1 0 340.427 3.108 10 10 EGCERO COc1cc(Br)cc(CN(C)Cc2ccns2)c1O ZINC000895453253 1309345468 /nfs/dbraw/zinc/34/54/68/1309345468.db2.gz HCYPHQHCCFBQAT-UHFFFAOYSA-N 1 0 343.246 3.252 10 10 EGCERO COC(=O)c1c(C[NH2+]CCC(C)(C)OC)c2cc(F)ccc2n1C ZINC000895454332 1309345558 /nfs/dbraw/zinc/34/55/58/1309345558.db2.gz XRHOJZLRMLNCAL-UHFFFAOYSA-N 1 0 336.407 3.009 10 10 EGCERO CC1CC[NH+](CCCNC(=O)c2cc3cc(O)c(O)cc3s2)CC1 ZINC000895491147 1309366688 /nfs/dbraw/zinc/36/66/88/1309366688.db2.gz YBJRYZMEOMQEAN-UHFFFAOYSA-N 1 0 348.468 3.164 10 10 EGCERO Cc1cc(N(C)C)ccc1C[NH2+]C[C@H]1CCC2(CCOCC2)CO1 ZINC000895537900 1309389997 /nfs/dbraw/zinc/38/99/97/1309389997.db2.gz WTKWSJFBYAHKHW-LJQANCHMSA-N 1 0 332.488 3.126 10 10 EGCERO Oc1cc(Br)ccc1C[N@@H+]1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000895845958 1309555025 /nfs/dbraw/zinc/55/50/25/1309555025.db2.gz SEAZPUUUXRCABD-DOMZBBRYSA-N 1 0 326.234 3.156 10 10 EGCERO C[N@@H+]1CC[C@H](C(=O)NCc2cc(Cl)ccc2O)[C@@H]1c1ccccc1 ZINC000898279942 1310660586 /nfs/dbraw/zinc/66/05/86/1310660586.db2.gz SMFRDRDLEZSQFO-WMZOPIPTSA-N 1 0 344.842 3.355 10 10 EGCERO COc1ccc(N2CCC[N@H+](CCSc3ccncc3)CC2)cc1 ZINC000929315060 1328565423 /nfs/dbraw/zinc/56/54/23/1328565423.db2.gz IGKIIZKFFNOYOY-UHFFFAOYSA-N 1 0 343.496 3.395 10 10 EGCERO C[C@@H]1C[C@@H]([NH2+][C@@H]2c3ccccc3CN(C)C2=O)c2c1c(F)ccc2O ZINC000857875044 1328612385 /nfs/dbraw/zinc/61/23/85/1328612385.db2.gz FPRFCVDCCGMUSL-PRIMNGNOSA-N 1 0 340.398 3.383 10 10 EGCERO Cc1cncc(/C=C/C(=O)N2C[C@@H]([NH+](C)C)CCc3ccccc32)c1 ZINC000857928901 1328630173 /nfs/dbraw/zinc/63/01/73/1328630173.db2.gz VONGHIIAXJFRQX-BLRBJFNZSA-N 1 0 335.451 3.313 10 10 EGCERO CN(C)c1cc(F)c(C[NH2+][C@@H]2CCC[C@@H]2Cc2cnn(C)c2)cc1F ZINC000858193633 1328708761 /nfs/dbraw/zinc/70/87/61/1328708761.db2.gz YWCPFGLGECTOKJ-RDTXWAMCSA-N 1 0 348.441 3.265 10 10 EGCERO Cc1cc(O)c(C[NH2+]CC2(OCCO)CCC(F)(F)CC2)cc1C ZINC000858236766 1328718654 /nfs/dbraw/zinc/71/86/54/1328718654.db2.gz ZXBOQHBPSJFQQT-UHFFFAOYSA-N 1 0 343.414 3.056 10 10 EGCERO CN(C)c1ccc(C[NH2+][C@H]2CO[C@H](C3CC3)C2)c(C(F)(F)F)c1 ZINC000858299114 1328732775 /nfs/dbraw/zinc/73/27/75/1328732775.db2.gz PKODVNZHXAQFAI-CJNGLKHVSA-N 1 0 328.378 3.429 10 10 EGCERO CC[C@@H]([NH2+]Cc1ccc2oc(=O)n(C)c2c1)c1ccc(C)cc1O ZINC000858539515 1328791816 /nfs/dbraw/zinc/79/18/16/1328791816.db2.gz FRXHSVWANLBFLT-OAHLLOKOSA-N 1 0 326.396 3.386 10 10 EGCERO C[C@H]([NH2+][C@H]1CCN(C2CCC2)C1=O)c1cc2c(cc1O)CCCC2 ZINC000858602876 1328806732 /nfs/dbraw/zinc/80/67/32/1328806732.db2.gz LCYNNENLYOPOCB-UGSOOPFHSA-N 1 0 328.456 3.075 10 10 EGCERO C[C@H]([NH2+]C[C@H]1C[C@@H](C)O[C@@H](C)C1)c1ccc(N2CCOCC2)cc1 ZINC000930211269 1328813486 /nfs/dbraw/zinc/81/34/86/1328813486.db2.gz SESOEUDZYZRYLL-XWTMOSNGSA-N 1 0 332.488 3.377 10 10 EGCERO C[C@@H]([NH2+]Cc1ccc2c(c1)CCCO2)c1ccc(-n2cncn2)cc1 ZINC000921491874 1322328624 /nfs/dbraw/zinc/32/86/24/1322328624.db2.gz XYUUFPFQLYOBSW-OAHLLOKOSA-N 1 0 334.423 3.443 10 10 EGCERO C[C@@H](NC(=O)NCc1c(O)cccc1F)[C@H](c1ccccc1)[NH+](C)C ZINC000922414589 1322524312 /nfs/dbraw/zinc/52/43/12/1322524312.db2.gz OTTDZOFAHUSNHD-FZKQIMNGSA-N 1 0 345.418 3.022 10 10 EGCERO C[C@@H]1OC[C@@H]([NH2+]C2CCN(c3ccc(OC(F)F)cc3)CC2)[C@@H]1C ZINC000924908410 1323209050 /nfs/dbraw/zinc/20/90/50/1323209050.db2.gz VUXQYJAPHAAZCZ-IIYDPXPESA-N 1 0 340.414 3.270 10 10 EGCERO C[C@@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)c1cc(Br)c(F)cc1[O-] ZINC000925803000 1325307274 /nfs/dbraw/zinc/30/72/74/1325307274.db2.gz LRMAZIPZUNILRD-GMTAPVOTSA-N 1 0 345.256 3.190 10 10 EGCERO C[C@@H]([NH2+]CC1(n2cc(Br)cn2)CC1)c1ccccc1O ZINC000927008623 1327819512 /nfs/dbraw/zinc/81/95/12/1327819512.db2.gz SVQQJUXPEKXECB-LLVKDONJSA-N 1 0 336.233 3.191 10 10 EGCERO COC(=O)C1=CC[C@@H]([NH2+]Cc2cc(OC)cc(C(C)(C)C)c2O)C1 ZINC000862468625 1329489141 /nfs/dbraw/zinc/48/91/41/1329489141.db2.gz ZMSOOLKRFFDYGH-CQSZACIVSA-N 1 0 333.428 3.050 10 10 EGCERO COc1c(O)c(C[NH+]2CC(Cc3cccs3)C2)ccc1[N+](=O)[O-] ZINC000862539952 1329494169 /nfs/dbraw/zinc/49/41/69/1329494169.db2.gz VIRRQZVKWYAPPR-UHFFFAOYSA-N 1 0 334.397 3.045 10 10 EGCERO COc1ccc([C@H]2CC[N@H+](Cc3cc4c(cc3O)OCO4)C2)cc1F ZINC000862541052 1329494521 /nfs/dbraw/zinc/49/45/21/1329494521.db2.gz MBGWEIAWZIDPFM-ZDUSSCGKSA-N 1 0 345.370 3.258 10 10 EGCERO CC[C@@H]1[NH2+]CC[C@H]1NCc1ccc(OCc2ccccc2)cc1O ZINC000863484110 1329557630 /nfs/dbraw/zinc/55/76/30/1329557630.db2.gz UECSNFXFRXUPNQ-RBUKOAKNSA-N 1 0 326.440 3.201 10 10 EGCERO CN(C)c1cc(F)c(CNc2cnn(C3CC[NH+](C)CC3)c2)cc1F ZINC000865702936 1329730778 /nfs/dbraw/zinc/73/07/78/1329730778.db2.gz ICUDZKVNJUBZPW-UHFFFAOYSA-N 1 0 349.429 3.106 10 10 EGCERO COc1ccc(N2CC[C@@H]([NH2+][C@H]3[C@@H]4CCO[C@@H]4C34CCCC4)C2)cc1 ZINC000866385664 1330105084 /nfs/dbraw/zinc/10/50/84/1330105084.db2.gz OVNDBWYVPZUGHF-TTYHFUOFSA-N 1 0 342.483 3.211 10 10 EGCERO C[C@@H]([NH2+]Cc1ccnc(-n2cncn2)c1)c1cc2c(cc1O)CCCC2 ZINC000866436103 1330112236 /nfs/dbraw/zinc/11/22/36/1330112236.db2.gz RWVMTELSMVQJQK-CQSZACIVSA-N 1 0 349.438 3.098 10 10 EGCERO COc1cc(Br)cc([C@H](C)[NH2+][C@@H]2C[C@@H](C)O[C@H]2C)c1O ZINC000866447088 1330113518 /nfs/dbraw/zinc/11/35/18/1330113518.db2.gz HMLFPJJDVFKJAM-KEPMVKOISA-N 1 0 344.249 3.380 10 10 EGCERO CC[C@H](C[C@H](C)O)[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000866635613 1330136316 /nfs/dbraw/zinc/13/63/16/1330136316.db2.gz RTCFCMFQKNOWLK-SOUVJXGZSA-N 1 0 340.895 3.377 10 10 EGCERO COc1cc(C)cc(C[NH2+][C@H]2CCN(C)[C@H]2c2ccc(F)cc2)c1O ZINC001119446483 1371344377 /nfs/dbraw/zinc/34/43/77/1371344377.db2.gz ZFZXTXANRUNFSW-HKUYNNGSSA-N 1 0 344.430 3.383 10 10 EGCERO COc1ccc(C[NH2+][C@H](C)CCNC(=O)c2cccs2)cc1C ZINC001266125183 1377199053 /nfs/dbraw/zinc/19/90/53/1377199053.db2.gz VUAVEHYCSFULBI-CQSZACIVSA-N 1 0 332.469 3.363 10 10 EGCERO CC(C)(C)CC[NH2+]C1(CNC(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC001269544723 1377558232 /nfs/dbraw/zinc/55/82/32/1377558232.db2.gz QDIDUMWHVWRLTQ-UHFFFAOYSA-N 1 0 345.447 3.137 10 10 EGCERO Cc1cc(C(=O)N2CC([NH+]3CCCC3)C2)c(C)n1-c1cccc(C)c1 ZINC001300584411 1383671599 /nfs/dbraw/zinc/67/15/99/1383671599.db2.gz IEZXIBQMGPFFTG-UHFFFAOYSA-N 1 0 337.467 3.323 10 10 EGCERO COc1ccc(N2CCC[N@@H+](C[C@H](OC)C3CCCC3)CC2)cc1 ZINC001307424152 1383987924 /nfs/dbraw/zinc/98/79/24/1383987924.db2.gz OIRCBTYCFSVWPT-FQEVSTJZSA-N 1 0 332.488 3.413 10 10 EGCERO C[C@@H]1CCN(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)C[C@@H]1C ZINC001313410048 1384416487 /nfs/dbraw/zinc/41/64/87/1384416487.db2.gz DGSFDVRWTVEOKM-GJYPPUQNSA-N 1 0 346.519 3.043 10 10 EGCERO CN(C)c1ccc([C@@H](CNC(=O)N(C)CC2CCCC2)[NH+](C)C)cc1 ZINC001313419905 1384416674 /nfs/dbraw/zinc/41/66/74/1384416674.db2.gz VJPXGIWTDOBWPT-LJQANCHMSA-N 1 0 346.519 3.187 10 10 EGCERO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)CCC(F)(F)F)C2)cc1C ZINC001317075373 1384841975 /nfs/dbraw/zinc/84/19/75/1384841975.db2.gz BVDYVYMUEWDKBC-HDJSIYSDSA-N 1 0 344.377 3.083 10 10 EGCERO COc1ccc(C[NH2+]CC2(NC(=O)c3cc[nH]c3)CCCC2)cc1C ZINC001698625824 1406267102 /nfs/dbraw/zinc/26/71/02/1406267102.db2.gz DWUYBCZXOYDFNW-UHFFFAOYSA-N 1 0 341.455 3.164 10 10 EGCERO COc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)[C@H](C)c2ccco2)cc1C ZINC001319527579 1386162484 /nfs/dbraw/zinc/16/24/84/1386162484.db2.gz IXSBXFWFIMIBJO-HZPDHXFCSA-N 1 0 344.455 3.337 10 10 EGCERO COc1ccc(C[NH2+][C@@H](CNC(=O)c2cc(C)co2)C(C)C)cc1C ZINC001319935539 1386402575 /nfs/dbraw/zinc/40/25/75/1386402575.db2.gz JSROGUQFBSLRLG-KRWDZBQOSA-N 1 0 344.455 3.449 10 10 EGCERO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]C[C@H]1CCC2(CCOCC2)[C@H]1O ZINC001321792171 1386985842 /nfs/dbraw/zinc/98/58/42/1386985842.db2.gz DSSAUMKZWCXNAV-DICRZQGBSA-N 1 0 345.483 3.406 10 10 EGCERO CO[C@@H]1CC[C@H]([NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2Cl)C1 ZINC001338829832 1389782441 /nfs/dbraw/zinc/78/24/41/1389782441.db2.gz SMQUFDZJPHAVLP-OFQRWUPVSA-N 1 0 338.879 3.395 10 10 EGCERO COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)C2(CF)CCC2)cc1C ZINC001331559039 1389798308 /nfs/dbraw/zinc/79/83/08/1389798308.db2.gz CXVNRPSAGLUNTN-OAHLLOKOSA-N 1 0 336.451 3.080 10 10 EGCERO CC[NH+](CC)CC[C@@H](C)NC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC001348329587 1391206651 /nfs/dbraw/zinc/20/66/51/1391206651.db2.gz QIGCQBXRLSSOER-OAHLLOKOSA-N 1 0 342.487 3.339 10 10 EGCERO C/C=C(/C)C(=O)N[C@@H]1CCC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001480691815 1392856349 /nfs/dbraw/zinc/85/63/49/1392856349.db2.gz VIAVRVLXJGYSJM-LDBCDMEOSA-N 1 0 330.472 3.487 10 10 EGCERO CCCC[NH2+][C@H]1CCC[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001480711472 1392873378 /nfs/dbraw/zinc/87/33/78/1392873378.db2.gz XPRGIESLTUNVGE-JKSUJKDBSA-N 1 0 345.447 3.280 10 10 EGCERO COc1ccc(C[NH2+]CCN(C)C(=O)c2ccccc2F)cc1C ZINC001481202390 1393149009 /nfs/dbraw/zinc/14/90/09/1393149009.db2.gz JFOJJBLZUYODGG-UHFFFAOYSA-N 1 0 330.403 3.005 10 10 EGCERO COc1ccc(C[NH2+][C@@H](CNC(=O)[C@H](C)C(C)C)C2CC2)cc1C ZINC001490715660 1394304431 /nfs/dbraw/zinc/30/44/31/1394304431.db2.gz BKOLJKPXOIZDLC-QAPCUYQASA-N 1 0 332.488 3.280 10 10 EGCERO COc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)C[C@H](C)SC)cc1C ZINC001496042914 1396590503 /nfs/dbraw/zinc/59/05/03/1396590503.db2.gz LXYFQUCELJYYKP-GJZGRUSLSA-N 1 0 338.517 3.082 10 10 EGCERO COc1ccc(C[NH2+]C/C=C\CNC(=O)c2cscc2C)cc1C ZINC001699243153 1412594462 /nfs/dbraw/zinc/59/44/62/1412594462.db2.gz QOJWDMDALBIAKG-PLNGDYQASA-N 1 0 344.480 3.449 10 10 EGCERO COc1ccc(C[NH2+]C2(CNC(=O)[C@H]3CC3(C)C)CCC2)cc1C ZINC001700130738 1413546292 /nfs/dbraw/zinc/54/62/92/1413546292.db2.gz UNCNHWQENHWAPG-MRXNPFEDSA-N 1 0 330.472 3.178 10 10 EGCERO CCc1occc1C(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001700395008 1413926398 /nfs/dbraw/zinc/92/63/98/1413926398.db2.gz OMNSPLPQQUHJMC-HUUCEWRRSA-N 1 0 344.455 3.456 10 10 EGCERO COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)CCc2ccoc2)cc1C ZINC001700747423 1414416396 /nfs/dbraw/zinc/41/63/96/1414416396.db2.gz DVSSRNIFCHHWEC-MRXNPFEDSA-N 1 0 344.455 3.166 10 10 EGCERO COc1ccc(C[NH2+]C/C=C\CNC(=O)c2[nH]c(C)cc2C)cc1C ZINC001732868238 1429018925 /nfs/dbraw/zinc/01/89/25/1429018925.db2.gz LNXDOBOOFHILHN-WAYWQWQTSA-N 1 0 341.455 3.024 10 10 EGCERO COc1ccc(C[NH2+]C/C=C\CNC(=O)C[C@@H]2CC[C@@H]3C[C@@H]32)cc1C ZINC001732867941 1429018953 /nfs/dbraw/zinc/01/89/53/1429018953.db2.gz DXQNGUYMQGNTKC-MDNVCMEISA-N 1 0 342.483 3.202 10 10 EGCERO COc1ccc(C[NH2+][C@H](C)CNC(=O)c2ccc(F)c(C)c2)cc1C ZINC001713334166 1417957762 /nfs/dbraw/zinc/95/77/62/1417957762.db2.gz AQSGIXIRWUBZTD-OAHLLOKOSA-N 1 0 344.430 3.359 10 10 EGCERO COc1ccc(C[NH2+]CCCN(C)C(=O)c2ccc(Cl)[nH]2)cc1C ZINC001733125757 1429253121 /nfs/dbraw/zinc/25/31/21/1429253121.db2.gz PSDMKXXQLKVCIK-UHFFFAOYSA-N 1 0 349.862 3.237 10 10 EGCERO CC[C@@H](CNC(=O)[C@H]1[C@@H]2CCC[C@@H]21)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001715051711 1419793396 /nfs/dbraw/zinc/79/33/96/1419793396.db2.gz MFXTZRMVBVRSTC-IMBTUZDBSA-N 1 0 330.472 3.034 10 10 EGCERO CC[C@H](CNC(=O)c1cc(C)co1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001715069226 1419804645 /nfs/dbraw/zinc/80/46/45/1419804645.db2.gz CUDGZZUDWOQFMF-MRXNPFEDSA-N 1 0 330.428 3.203 10 10 EGCERO COc1ccc(C[NH2+][C@@H](CNC(=O)C2CCCC2)C(C)C)cc1C ZINC001715484429 1420164646 /nfs/dbraw/zinc/16/46/46/1420164646.db2.gz JLMHRLKKXCECOL-SFHVURJKSA-N 1 0 332.488 3.424 10 10 EGCERO COc1ccc(C[NH2+]C2(CNC(=O)[C@H]3C[C@@]3(C)C(C)C)CC2)cc1C ZINC001733257314 1429408937 /nfs/dbraw/zinc/40/89/37/1429408937.db2.gz KJBMDNYJVTUZEE-XLIONFOSSA-N 1 0 344.499 3.424 10 10 EGCERO COc1ccc(C[NH2+]C/C=C/CNC(=O)c2ccc(Cl)[nH]2)cc1C ZINC001715865616 1420373281 /nfs/dbraw/zinc/37/32/81/1420373281.db2.gz IPXNPTRNZAKTJC-ONEGZZNKSA-N 1 0 347.846 3.061 10 10 EGCERO COc1ccc(C[NH2+]CC[C@@H](C)NC(=O)c2ccc(C)nc2)cc1C ZINC001716121315 1420533795 /nfs/dbraw/zinc/53/37/95/1420533795.db2.gz YVCPPDBCFAOSCE-MRXNPFEDSA-N 1 0 341.455 3.005 10 10 EGCERO CCN(CC[NH2+]Cc1ccc(OC)c(C)c1)C(=O)/C=C(\C)C1CC1 ZINC001716208213 1420566470 /nfs/dbraw/zinc/56/64/70/1420566470.db2.gz QVTHUENLKXDGLO-FYWRMAATSA-N 1 0 330.472 3.298 10 10 EGCERO COc1ccc(C[NH2+]C[C@H](C)NC(=O)c2cc(C)ccc2F)cc1C ZINC001716454432 1420669253 /nfs/dbraw/zinc/66/92/53/1420669253.db2.gz FDNAKTFEMHJCQX-HNNXBMFYSA-N 1 0 344.430 3.359 10 10 EGCERO COc1ccc(C[NH2+][C@H](CNC(=O)[C@H](C)C2CC2)C2CC2)cc1C ZINC001731400403 1427360647 /nfs/dbraw/zinc/36/06/47/1427360647.db2.gz LMUNLNNSFIBJHI-RDTXWAMCSA-N 1 0 330.472 3.034 10 10 EGCERO COc1ccc(C[NH2+][C@@H](C)CNC(=O)[C@H]2CCC(C)(C)C2)cc1C ZINC001731619383 1427667951 /nfs/dbraw/zinc/66/79/51/1427667951.db2.gz QIZUTLOVAULPAG-RDJZCZTQSA-N 1 0 332.488 3.424 10 10 EGCERO COc1ccc(C[NH2+][C@@H]2CCC[C@H](NC(=O)C=C(C)C)C2)cc1C ZINC001731687111 1427734667 /nfs/dbraw/zinc/73/46/67/1427734667.db2.gz XCTDLJOWKOALOV-MSOLQXFVSA-N 1 0 330.472 3.487 10 10 EGCERO COc1ccc(C[NH2+][C@H](C)CCNC(=O)c2cncc(C)c2)cc1C ZINC001731726690 1427800743 /nfs/dbraw/zinc/80/07/43/1427800743.db2.gz WMCHCTIQZRVPFX-MRXNPFEDSA-N 1 0 341.455 3.005 10 10 EGCERO COc1ccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)c2csnc2C)cc1C ZINC001733971467 1437772559 /nfs/dbraw/zinc/77/25/59/1437772559.db2.gz SLQHPBVOOJWRND-CHWSQXEVSA-N 1 0 347.484 3.065 10 10 EGCERO CC(=O)Nc1ccc(C[NH+]2CCCCC2)c([O-])c1C[NH+]1CCCCC1 ZINC000035241168 213015559 /nfs/dbraw/zinc/01/55/59/213015559.db2.gz ZATGKKMKVZJTMW-UHFFFAOYSA-N 1 0 345.487 3.322 10 10 EGCERO Cc1ccsc1C[NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000054179226 132190432 /nfs/dbraw/zinc/19/04/32/132190432.db2.gz MAPQVCALBZZBLP-MRXNPFEDSA-N 1 0 343.496 3.048 10 10 EGCERO Oc1ccc2ccccc2c1C[NH+]1CCN(c2nccs2)CC1 ZINC000012885989 453420675 /nfs/dbraw/zinc/42/06/75/453420675.db2.gz SZGCGRALHDVXPY-UHFFFAOYSA-N 1 0 325.437 3.324 10 10 EGCERO Cc1ncc(CN2CC[NH+](Cc3cc(C)c(C)cc3O)CC2)s1 ZINC000111164921 454857971 /nfs/dbraw/zinc/85/79/71/454857971.db2.gz RWFZQLWLAAYVDP-UHFFFAOYSA-N 1 0 331.485 3.092 10 10 EGCERO CCN(CC)[C@H](C)C[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000127528201 454974429 /nfs/dbraw/zinc/97/44/29/454974429.db2.gz PNZDRUNTCWTTKP-HZPDHXFCSA-N 1 0 337.483 3.043 10 10 EGCERO COc1ccc(O)c(C[NH+]2CCC(NC(=O)C3CCCCC3)CC2)c1 ZINC000179899443 455095947 /nfs/dbraw/zinc/09/59/47/455095947.db2.gz UBFAWKYWGIAYNE-UHFFFAOYSA-N 1 0 346.471 3.062 10 10 EGCERO Cc1cccc(C[N@H+]2CC[C@H](CN(C)Cc3cccnc3)C2)c1O ZINC000190492125 455331731 /nfs/dbraw/zinc/33/17/31/455331731.db2.gz WNNJHSULCVJEOA-GOSISDBHSA-N 1 0 325.456 3.050 10 10 EGCERO C[C@H]([NH2+]CCCc1ccccn1)c1ccc(N2CCOCC2)c(F)c1 ZINC000181497384 455344211 /nfs/dbraw/zinc/34/42/11/455344211.db2.gz NHEWKMTYXNATPI-INIZCTEOSA-N 1 0 343.446 3.341 10 10 EGCERO CO[C@@H]1CC[C@@H]2OCC[N@H+](Cc3cc(Cl)cc(C)c3O)[C@@H]2C1 ZINC000245637665 455345920 /nfs/dbraw/zinc/34/59/20/455345920.db2.gz CKPAVFGZXUQWRO-OAGGEKHMSA-N 1 0 325.836 3.122 10 10 EGCERO C[C@@H]([NH2+][C@@H]1CCCN(c2cnn(C)c2)C1)c1cc(Cl)ccc1O ZINC000185552250 455577177 /nfs/dbraw/zinc/57/71/77/455577177.db2.gz GOPLSVKMTVYZTK-TZMCWYRMSA-N 1 0 334.851 3.099 10 10 EGCERO CCc1cc(N2CCC[C@@H]([NH2+][C@H](C)c3ccc(C)cc3O)C2)ncn1 ZINC000248516754 455717385 /nfs/dbraw/zinc/71/73/85/455717385.db2.gz OYWVAWXEQKZIFF-NVXWUHKLSA-N 1 0 340.471 3.373 10 10 EGCERO CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3O)C[C@H]21 ZINC000248558654 455719991 /nfs/dbraw/zinc/71/99/91/455719991.db2.gz AJZRTICHVCQBQP-NUEKZKHPSA-N 1 0 332.444 3.127 10 10 EGCERO CCO[C@H]1C[C@H]([NH2+]Cc2ccc(N3CCCC3)cc2)C12CCOCC2 ZINC000186241324 455724011 /nfs/dbraw/zinc/72/40/11/455724011.db2.gz DLTJQOASZDVDLL-PMACEKPBSA-N 1 0 344.499 3.351 10 10 EGCERO CC(C)c1nnc2n1C[C@H]([NH2+][C@H](C)c1cc(Cl)ccc1O)CC2 ZINC000186293183 455736035 /nfs/dbraw/zinc/73/60/35/455736035.db2.gz DOEOXSWPCYNDFD-DGCLKSJQSA-N 1 0 334.851 3.426 10 10 EGCERO CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2ccc(N(C)C)cc2)C12CCOCC2 ZINC000186315332 455741448 /nfs/dbraw/zinc/74/14/48/455741448.db2.gz YJOIUNSFEIGOJS-KFKAGJAMSA-N 1 0 332.488 3.377 10 10 EGCERO COc1ccc(F)c(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)c1 ZINC000294861784 455829759 /nfs/dbraw/zinc/82/97/59/455829759.db2.gz JLRNZWCREFGFNY-UHFFFAOYSA-N 1 0 344.430 3.303 10 10 EGCERO CC[C@H]([NH2+]Cc1cccc(N2CCOCC2)n1)c1ccc(C)cc1O ZINC000280274464 455932998 /nfs/dbraw/zinc/93/29/98/455932998.db2.gz YCGJFKQZLICUDB-SFHVURJKSA-N 1 0 341.455 3.173 10 10 EGCERO COc1cccc(C[N@@H+]2CCC[C@H](c3ncc4n3CCCC4)C2)c1O ZINC000282729256 456605491 /nfs/dbraw/zinc/60/54/91/456605491.db2.gz MDWUDDRDAIDIGS-INIZCTEOSA-N 1 0 341.455 3.313 10 10 EGCERO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2C[C@@H](C)[C@@H]2C)C1 ZINC000357528057 457579933 /nfs/dbraw/zinc/57/99/33/457579933.db2.gz AEZLDNWVHRJLRS-CVEARBPZSA-N 1 0 339.483 3.275 10 10 EGCERO Cc1cc(Br)cc(C[N@@H+]2CC[C@]3(C2)CCCOC3)c1O ZINC000375305117 457874203 /nfs/dbraw/zinc/87/42/03/457874203.db2.gz WBBXQMKRJZWWSP-INIZCTEOSA-N 1 0 340.261 3.466 10 10 EGCERO Cc1cc(Cl)cc(CN2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)c1O ZINC000367753762 457979252 /nfs/dbraw/zinc/97/92/52/457979252.db2.gz LCPJBGUFXJPFSQ-YESZJQIVSA-N 1 0 338.879 3.038 10 10 EGCERO CC[C@@H]([NH2+][C@@H]1CCCN(c2cnn(C)c2)C1)c1ccc(C)cc1O ZINC000365581612 547777578 /nfs/dbraw/zinc/77/75/78/547777578.db2.gz PYHHGUVHNURVTK-CRAIPNDOSA-N 1 0 328.460 3.144 10 10 EGCERO COC(=O)c1cc2ccccc2c(C[N@@H+]2CCSC[C@@H]2C)c1O ZINC000738280154 576309815 /nfs/dbraw/zinc/30/98/15/576309815.db2.gz ZWMUXQWWFKZWBI-LBPRGKRZSA-N 1 0 331.437 3.269 10 10 EGCERO Oc1ccc2ccccc2c1C[NH+]1CCN(Cc2cccnc2)CC1 ZINC000023260020 1291233449 /nfs/dbraw/zinc/23/34/49/1291233449.db2.gz GQOXZFCHVJFUMX-UHFFFAOYSA-N 1 0 333.435 3.258 10 10 EGCERO Nc1cccc2c1CC[N@H+](Cc1c(O)cccc1Br)C2 ZINC000706834276 1298224497 /nfs/dbraw/zinc/22/44/97/1298224497.db2.gz RIKLOYBKKMLUOL-UHFFFAOYSA-N 1 0 333.229 3.295 10 10 EGCERO CCOc1ccc(C[NH2+]CC[C@@H]2CCC3(CCOCC3)CO2)c(O)c1 ZINC000886300645 1303427738 /nfs/dbraw/zinc/42/77/38/1303427738.db2.gz MVFDUOKQDJQTPJ-KRWDZBQOSA-N 1 0 349.471 3.246 10 10 EGCERO Cc1cc(O)c(C[NH2+]C[C@@H]2CC[C@]3(CO[C@H](C)C3)O2)c(Cl)c1 ZINC000886330326 1303436621 /nfs/dbraw/zinc/43/66/21/1303436621.db2.gz QQCVWNLHSAIGKH-IGCXYCKISA-N 1 0 325.836 3.170 10 10 EGCERO Oc1cc(Br)ccc1C[NH2+][C@@H]1CCC[C@]12CCCO2 ZINC000895678642 1309462107 /nfs/dbraw/zinc/46/21/07/1309462107.db2.gz BGUCDGGTDFLWRH-CABCVRRESA-N 1 0 326.234 3.346 10 10 EGCERO CCc1cccc(C[NH2+]CC[C@@H]2CCC3(CCOCC3)CO2)c1O ZINC000895799485 1309526376 /nfs/dbraw/zinc/52/63/76/1309526376.db2.gz LVLABNZRAWYBAQ-SFHVURJKSA-N 1 0 333.472 3.410 10 10 EGCERO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1cc2cc(O)c(O)cc2s1 ZINC000898440507 1310736577 /nfs/dbraw/zinc/73/65/77/1310736577.db2.gz VOLJCEYOQJYGSF-OLZOCXBDSA-N 1 0 346.452 3.059 10 10 EGCERO CN(C)c1ccc(/C=C/C[NH2+]Cc2ccc3oc(=O)n(C)c3c2)cc1 ZINC000858295139 1328731314 /nfs/dbraw/zinc/73/13/14/1328731314.db2.gz WEHAPEOYKDDBKF-SNAWJCMRSA-N 1 0 337.423 3.001 10 10 EGCERO Cc1ccc([C@H](C)[NH2+]Cc2ccc3oc(=O)n(C)c3c2)c(O)c1C ZINC000858539191 1328791305 /nfs/dbraw/zinc/79/13/05/1328791305.db2.gz AAJASUIEVFOOEI-ZDUSSCGKSA-N 1 0 326.396 3.305 10 10 EGCERO C[C@@H]([NH2+][C@@H](C)c1ccc(F)nc1)c1ccc(N2CCOCC2)cc1 ZINC000930210569 1328812819 /nfs/dbraw/zinc/81/28/19/1328812819.db2.gz OHKFPNFDDXTVPZ-CABCVRRESA-N 1 0 329.419 3.469 10 10 EGCERO c1cc([C@H]2CCC[N@@H+](Cc3ccc(N4CCOCC4)cc3)C2)ccn1 ZINC000930479038 1328869559 /nfs/dbraw/zinc/86/95/59/1328869559.db2.gz ZHVYQGMYFCENLY-FQEVSTJZSA-N 1 0 337.467 3.298 10 10 EGCERO C[C@H]([NH2+]Cc1ccnn1C1CCC1)c1ccc(N2CCOCC2)cc1 ZINC000921590025 1322359626 /nfs/dbraw/zinc/35/96/26/1322359626.db2.gz AJMICDYNTODEBR-INIZCTEOSA-N 1 0 340.471 3.296 10 10 EGCERO FC(F)(F)[C@H](C[NH2+]Cc1ccc2c(c1)CCCO2)n1cccn1 ZINC000922283356 1322492194 /nfs/dbraw/zinc/49/21/94/1322492194.db2.gz XXMCSXMLKUPHTE-HNNXBMFYSA-N 1 0 325.334 3.101 10 10 EGCERO Cc1cc(C2([NH2+]Cc3ccc4c(c3)CCCO4)CCOCC2)on1 ZINC000922298964 1322495310 /nfs/dbraw/zinc/49/53/10/1322495310.db2.gz YVUNMGNKYMLDTI-UHFFFAOYSA-N 1 0 328.412 3.104 10 10 EGCERO CCc1noc([C@H]2CC[C@@H]([NH2+]Cc3ccc(N(C)C)c(F)c3)C2)n1 ZINC000922865879 1322635676 /nfs/dbraw/zinc/63/56/76/1322635676.db2.gz LEANDWCSGPXYGU-UONOGXRCSA-N 1 0 332.423 3.263 10 10 EGCERO COc1ccc(N2CCC([NH2+][C@@H]3CCOC[C@H]3C(C)C)CC2)cc1 ZINC000924904901 1323207854 /nfs/dbraw/zinc/20/78/54/1323207854.db2.gz DYQPDXVOYBSONH-VQTJNVASSA-N 1 0 332.488 3.315 10 10 EGCERO C[C@H]1[C@H](C)OC[C@H]1[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000924908404 1323209068 /nfs/dbraw/zinc/20/90/68/1323209068.db2.gz VUXQYJAPHAAZCZ-GDZNZVCISA-N 1 0 340.414 3.270 10 10 EGCERO COC1CCN(c2ccc(C[NH2+][C@H]3[C@@H](C)[C@@H](C)O[C@H]3C)cc2)CC1 ZINC000859829637 1329089883 /nfs/dbraw/zinc/08/98/83/1329089883.db2.gz GCBFDPWJWCUXOM-QOIOWGMHSA-N 1 0 332.488 3.203 10 10 EGCERO Cc1cc(Cl)cc([C@@H](C)[NH2+]CCCCCN2CC[NH2+]CC2)c1O ZINC000925846472 1325326834 /nfs/dbraw/zinc/32/68/34/1325326834.db2.gz NRFJWKMDYZYOGI-OAHLLOKOSA-N 1 0 339.911 3.080 10 10 EGCERO C[C@H]([NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1)c1ccns1 ZINC000926559230 1327616089 /nfs/dbraw/zinc/61/60/89/1327616089.db2.gz LEJCDOPAYSPZCC-NSHDSACASA-N 1 0 339.411 3.109 10 10 EGCERO COc1ccc(N2CC[C@H]([NH2+][C@H](C3CCC3)[C@@H]3CCOC3)C2)cc1 ZINC000926680241 1327663081 /nfs/dbraw/zinc/66/30/81/1327663081.db2.gz LCUBMPSIIWDILJ-FUHIMQAGSA-N 1 0 330.472 3.069 10 10 EGCERO C[C@@H]([NH2+]CC[C@@H]1CNC(=O)C1)c1ccc(N2CCCCCC2)cc1 ZINC000926985138 1327808755 /nfs/dbraw/zinc/80/87/55/1327808755.db2.gz FBEFOAOEZGTMON-SJORKVTESA-N 1 0 329.488 3.244 10 10 EGCERO CCCN(CCC)c1ccc(C[N@H+]2C[C@](C)(CO)[C@](C)(CO)C2)cc1 ZINC000862519189 1329491748 /nfs/dbraw/zinc/49/17/48/1329491748.db2.gz VPUWDTAEYNNDRR-OYRHEFFESA-N 1 0 348.531 3.126 10 10 EGCERO Cc1cc(Br)c(O)c(CN2CCO[C@@H](CCF)C2)c1 ZINC000862529358 1329492614 /nfs/dbraw/zinc/49/26/14/1329492614.db2.gz CAMDKQAMPCKAIR-LBPRGKRZSA-N 1 0 332.213 3.024 10 10 EGCERO COc1ccc(N2CC[C@H](C[NH2+]Cc3cncc(OC)c3C)C2)cc1 ZINC000865608930 1329719500 /nfs/dbraw/zinc/71/95/00/1329719500.db2.gz PLNFBYNOIFTCMR-MRXNPFEDSA-N 1 0 341.455 3.023 10 10 EGCERO CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@H](c3ccn(C)n3)C2)c1O ZINC000932135734 1329787699 /nfs/dbraw/zinc/78/76/99/1329787699.db2.gz NEFRZZMNOYDHQN-ZDUSSCGKSA-N 1 0 347.846 3.361 10 10 EGCERO c1cc(N2CCOCC2)ccc1C[N@@H+]1CCCSC[C@H]1C1CC1 ZINC000933911633 1329932613 /nfs/dbraw/zinc/93/26/13/1329932613.db2.gz DLAFMXIDAJFBLP-IBGZPJMESA-N 1 0 332.513 3.241 10 10 EGCERO CCOC(=O)c1cc(C[NH2+][C@@H](C)c2cc3c(cc2O)CCCC3)on1 ZINC000866514789 1330120783 /nfs/dbraw/zinc/12/07/83/1330120783.db2.gz RQRHBHNTTJNALA-LBPRGKRZSA-N 1 0 344.411 3.287 10 10 EGCERO Cc1ccc(O)c([C@H](C)[NH2+][C@H]2C[C@H](S(=O)(=O)c3ccccc3)C2)c1 ZINC000866518443 1330121435 /nfs/dbraw/zinc/12/14/35/1330121435.db2.gz ZKERMXQGYRZITN-ZOBUZTSGSA-N 1 0 345.464 3.356 10 10 EGCERO C[C@@H]([NH2+]C[C@@H]1CC2(CO1)CCOCC2)c1cc(Cl)ccc1O ZINC000866530681 1330122272 /nfs/dbraw/zinc/12/22/72/1330122272.db2.gz BHEKDSPEJZHDBO-OCCSQVGLSA-N 1 0 325.836 3.282 10 10 EGCERO C[C@H]1C[C@H]([N@H+](C)Cc2cc(Br)cc(F)c2[O-])CCN1C ZINC001119443207 1371343139 /nfs/dbraw/zinc/34/31/39/1371343139.db2.gz JEQREUAERSAHKK-GXFFZTMASA-N 1 0 345.256 3.208 10 10 EGCERO CC[NH+](CC)CC[C@H](C)NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC001124046012 1372664858 /nfs/dbraw/zinc/66/48/58/1372664858.db2.gz BSSNDWGEWWEGLB-NSHDSACASA-N 1 0 336.457 3.163 10 10 EGCERO CN(C)c1ccc([C@H](CNC(=O)C(C)(C)C2CCC2)[NH+](C)C)cc1 ZINC001134882007 1376765644 /nfs/dbraw/zinc/76/56/44/1376765644.db2.gz JWFYGSZFHZQDNX-SFHVURJKSA-N 1 0 331.504 3.298 10 10 EGCERO C[NH+](C)Cc1ccc(NC(=O)c2ccc(N=NC(N)=O)cc2)c(F)c1 ZINC001161700271 1382484525 /nfs/dbraw/zinc/48/45/25/1382484525.db2.gz VHDLPZQGPWNICM-UHFFFAOYSA-N 1 0 343.362 3.302 10 10 EGCERO COc1ccc(C[N@H+](CCO)Cc2ccc(N(C)C)c(C)c2)cc1 ZINC001175679471 1385371550 /nfs/dbraw/zinc/37/15/50/1385371550.db2.gz WPVLIMTZNBZEIN-UHFFFAOYSA-N 1 0 328.456 3.064 10 10 EGCERO COc1ccc(C[NH2+]C[C@](C)(NC(=O)C2=CCCC2)C2CC2)cc1C ZINC001698641171 1406289128 /nfs/dbraw/zinc/28/91/28/1406289128.db2.gz BYDSPGLBBVUWRY-NRFANRHFSA-N 1 0 342.483 3.488 10 10 EGCERO COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)C(C2CC2)C2CC2)cc1C ZINC001331617434 1389831193 /nfs/dbraw/zinc/83/11/93/1389831193.db2.gz UCGJFONVJRYFEB-OAHLLOKOSA-N 1 0 344.499 3.376 10 10 EGCERO COC(=O)c1c(C[NH2+]C[C@H]2CCO[C@@H](C)C2)c2cc(F)ccc2n1C ZINC001350316752 1391446377 /nfs/dbraw/zinc/44/63/77/1391446377.db2.gz OZVXNFLKQHDXBO-STQMWFEESA-N 1 0 348.418 3.009 10 10 EGCERO COc1ccc(C[NH2+][C@@H](C)CNC(=O)c2cc(C)c(C)o2)cc1C ZINC001480449732 1392757429 /nfs/dbraw/zinc/75/74/29/1392757429.db2.gz VMFFDDVCUBBSPZ-AWEZNQCLSA-N 1 0 330.428 3.122 10 10 EGCERO CC[C@@H](F)C(=O)N[C@](C)(C[NH2+]Cc1ccc(OC)c(C)c1)C1CC1 ZINC001481937663 1394604640 /nfs/dbraw/zinc/60/46/40/1394604640.db2.gz QHJXPMNTUDMXTA-VQIMIIECSA-N 1 0 336.451 3.126 10 10 EGCERO COc1ccc(C[NH2+][C@@H](C)CCNC(=O)c2scnc2C)cc1C ZINC001484989330 1395633358 /nfs/dbraw/zinc/63/33/58/1395633358.db2.gz NGMKFSPINFQDHZ-ZDUSSCGKSA-N 1 0 347.484 3.067 10 10 EGCERO COc1ccc(C[NH2+]CC[C@H](C)NC(=O)c2cc(Cl)c[nH]2)cc1C ZINC001497143329 1396734099 /nfs/dbraw/zinc/73/40/99/1396734099.db2.gz RUQZFARPZKDCMK-ZDUSSCGKSA-N 1 0 349.862 3.283 10 10 EGCERO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)CCCC3CC3)C2)cc1C ZINC001690353231 1404488540 /nfs/dbraw/zinc/48/85/40/1404488540.db2.gz DGPDNQWZFNSOPG-HDICACEKSA-N 1 0 330.472 3.321 10 10 EGCERO COc1ccc(C[NH2+]C[C@@H](C)CNC(=O)c2coc(C)c2)cc1C ZINC001732339137 1428540690 /nfs/dbraw/zinc/54/06/90/1428540690.db2.gz MSMYPYUKNDOFDG-CYBMUJFWSA-N 1 0 330.428 3.061 10 10 EGCERO CCN(CC[NH2+]Cc1ccc(OC)c(C)c1)C(=O)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001699189899 1412562810 /nfs/dbraw/zinc/56/28/10/1412562810.db2.gz IOSDTBADYOSOEV-GUDVDZBRSA-N 1 0 344.499 3.378 10 10 EGCERO CCc1occc1C(=O)N[C@H](C)[C@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001700395010 1413926512 /nfs/dbraw/zinc/92/65/12/1413926512.db2.gz OMNSPLPQQUHJMC-LSDHHAIUSA-N 1 0 344.455 3.456 10 10 EGCERO CCc1occc1C(=O)N(C)CCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001733103189 1429243585 /nfs/dbraw/zinc/24/35/85/1429243585.db2.gz RNRNAKSNAQGPKT-UHFFFAOYSA-N 1 0 344.455 3.411 10 10 EGCERO CCC[N@H+](C)C[C@@H]1CCCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001713903017 1418702124 /nfs/dbraw/zinc/70/21/24/1418702124.db2.gz LUWJXVSGHJIQKA-AWEZNQCLSA-N 1 0 345.447 3.043 10 10 EGCERO COc1ccc(C[NH2+]C2(CNC(=O)C(C)(C)F)CCCC2)cc1C ZINC001714483393 1419205990 /nfs/dbraw/zinc/20/59/90/1419205990.db2.gz KJTZMVKQTYOWID-UHFFFAOYSA-N 1 0 336.451 3.270 10 10 EGCERO COc1ccc(C[NH2+][C@H](C)CCNC(=O)[C@H]2C[C@H]3C[C@H]3C2)cc1C ZINC001714486897 1419209893 /nfs/dbraw/zinc/20/98/93/1419209893.db2.gz OHJYZBYFGYXPJH-BGTYHANMSA-N 1 0 330.472 3.034 10 10 EGCERO COc1ccc(C[NH2+]C2(CNC(=O)[C@@]3(C)C=CCC3)CC2)cc1C ZINC001733253314 1429402826 /nfs/dbraw/zinc/40/28/26/1429402826.db2.gz UCTUFRXXHQKMIW-IBGZPJMESA-N 1 0 328.456 3.098 10 10 EGCERO COc1ccc(C[NH2+]CC[C@@H](C)NC(=O)[C@@H](C)C(C)(F)F)cc1C ZINC001715685842 1420294172 /nfs/dbraw/zinc/29/41/72/1420294172.db2.gz VKKZPWGTJCUHIZ-ZIAGYGMSSA-N 1 0 342.430 3.279 10 10 EGCERO COc1ccc(C[NH2+]C2(CNC(=O)C(C)=C3CCC3)CC2)cc1C ZINC001716681048 1420835983 /nfs/dbraw/zinc/83/59/83/1420835983.db2.gz GNNFCGIGRYTMHF-UHFFFAOYSA-N 1 0 328.456 3.242 10 10 EGCERO COc1ccc(C[NH2+]C[C@]2(C)CCN(C(=O)CC3CC3)C2)cc1C ZINC001716856201 1420987742 /nfs/dbraw/zinc/98/77/42/1420987742.db2.gz XVCUMRBWZUAUPC-FQEVSTJZSA-N 1 0 330.472 3.132 10 10 EGCERO COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)[C@@H](C)c2ccco2)cc1C ZINC001717740849 1421604267 /nfs/dbraw/zinc/60/42/67/1421604267.db2.gz HVYBARGKROKBJH-CVEARBPZSA-N 1 0 344.455 3.337 10 10 EGCERO COc1ccc(C[NH2+]CCC[C@H](C)NC(=O)C2=COCCC2)cc1C ZINC001725378576 1426027164 /nfs/dbraw/zinc/02/71/64/1426027164.db2.gz PVKXGWBOBRAAKA-INIZCTEOSA-N 1 0 346.471 3.072 10 10 EGCERO CCC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001731297279 1427240136 /nfs/dbraw/zinc/24/01/36/1427240136.db2.gz MGTVFJOJABOLBA-XJKSGUPXSA-N 1 0 345.447 3.232 10 10 EGCERO COc1ccc(C[NH2+][C@H](CNC(=O)C[C@@H]2C=CCC2)C2CC2)cc1C ZINC001731397897 1427356306 /nfs/dbraw/zinc/35/63/06/1427356306.db2.gz ZEAWVVHDFLZXDK-VQIMIIECSA-N 1 0 342.483 3.344 10 10 EGCERO CCCC[N@H+](C)[C@@H]1CCCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001731719585 1427787259 /nfs/dbraw/zinc/78/72/59/1427787259.db2.gz KWMMVRZFBBDERQ-MRXNPFEDSA-N 1 0 345.447 3.186 10 10 EGCERO CCOc1cccc(C[NH2+][C@H](C)c2ccc(-n3cncn3)cc2)c1O ZINC000069518085 203012969 /nfs/dbraw/zinc/01/29/69/203012969.db2.gz XYHADIVLDJYWLO-CQSZACIVSA-N 1 0 338.411 3.222 10 10 EGCERO Cc1ccc(C[NH2+]Cc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)s1 ZINC000054179232 132190237 /nfs/dbraw/zinc/19/02/37/132190237.db2.gz MORKYXGHGTYMOH-INIZCTEOSA-N 1 0 343.496 3.048 10 10 EGCERO FC(F)Oc1ccc(N2CCC([NH2+][C@@H]3CCCOC3)CC2)cc1 ZINC000157742305 455226911 /nfs/dbraw/zinc/22/69/11/455226911.db2.gz UVSUDYDWMLHOHG-CQSZACIVSA-N 1 0 326.387 3.025 10 10 EGCERO COc1ccc(F)cc1C[NH2+]Cc1cc(Cl)cc(OC)c1O ZINC000189695187 455231819 /nfs/dbraw/zinc/23/18/19/455231819.db2.gz YHRWYTHVGFIDKK-UHFFFAOYSA-N 1 0 325.767 3.492 10 10 EGCERO CCN(CC)c1ccc(C[NH+]2CCC(Nc3cccnn3)CC2)cc1 ZINC000120329602 454287359 /nfs/dbraw/zinc/28/73/59/454287359.db2.gz ZFZVMTHCCGMTPF-UHFFFAOYSA-N 1 0 339.487 3.399 10 10 EGCERO Cc1ccc(O)c(C[N@H+](C)C[C@@H](c2cccs2)N2CCOCC2)c1 ZINC000121740267 454472182 /nfs/dbraw/zinc/47/21/82/454472182.db2.gz BSIIHGBOPMWBRQ-KRWDZBQOSA-N 1 0 346.496 3.267 10 10 EGCERO CCOc1cccc(C[N@H+](C)Cc2cn(C)nc2C(F)(F)F)c1O ZINC000092068963 454512950 /nfs/dbraw/zinc/51/29/50/454512950.db2.gz OFMSHSKCNNJJFG-UHFFFAOYSA-N 1 0 343.349 3.175 10 10 EGCERO COc1cccc(C[N@@H+]2CC[C@@H](CNc3cccc(C)n3)C2)c1O ZINC000092813287 454639958 /nfs/dbraw/zinc/63/99/58/454639958.db2.gz LANZWFSVWMBBOY-HNNXBMFYSA-N 1 0 327.428 3.038 10 10 EGCERO Oc1cc2c(cc1C[NH+]1CCC(Nc3ccccc3F)CC1)OCO2 ZINC000093607976 454723645 /nfs/dbraw/zinc/72/36/45/454723645.db2.gz ZOBOPCVTZWQYPN-UHFFFAOYSA-N 1 0 344.386 3.337 10 10 EGCERO COc1cc(OC)c(C[NH2+][C@H](C)c2cc(F)ccc2O)c(OC)c1 ZINC000185066368 455495350 /nfs/dbraw/zinc/49/53/50/455495350.db2.gz ASZBFCWXVLTKKL-LLVKDONJSA-N 1 0 335.375 3.408 10 10 EGCERO CC(C)N1C[C@@H](C)[C@@H]([NH2+][C@@H](C)c2ccc(N3CCOCC3)c(F)c2)C1 ZINC000181284897 455312536 /nfs/dbraw/zinc/31/25/36/455312536.db2.gz HBVIXBOFOPPBQA-GJYPPUQNSA-N 1 0 349.494 3.042 10 10 EGCERO C[C@H]([NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@@H]1CCOC1 ZINC000247136127 455564950 /nfs/dbraw/zinc/56/49/50/455564950.db2.gz QNWIYANOYOWXSD-ZNMIVQPWSA-N 1 0 340.414 3.271 10 10 EGCERO C[C@H]([NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@H]1CCOC1 ZINC000247136113 455565372 /nfs/dbraw/zinc/56/53/72/455565372.db2.gz QNWIYANOYOWXSD-KKUMJFAQSA-N 1 0 340.414 3.271 10 10 EGCERO CC(=O)N1CC[C@@H]([NH2+]Cc2cccc(C)c2O)c2ccc(F)cc2C1 ZINC000185603990 455584457 /nfs/dbraw/zinc/58/44/57/455584457.db2.gz DFRDCPTWEJPDLY-LJQANCHMSA-N 1 0 342.414 3.423 10 10 EGCERO COc1ccc(O)c([C@H](C)[NH2+][C@H]2CCN(c3ccccc3OC)C2)c1 ZINC000185712075 455603438 /nfs/dbraw/zinc/60/34/38/455603438.db2.gz JKEROYGRALJLNP-GJZGRUSLSA-N 1 0 342.439 3.339 10 10 EGCERO C[C@H]([NH2+][C@H](CO)C[C@@H](O)C(C)(C)C)c1ccc(N2CCCCC2)cc1 ZINC000284278468 455661515 /nfs/dbraw/zinc/66/15/15/455661515.db2.gz HJWLNPVGKWDDQX-XKGZKEIXSA-N 1 0 348.531 3.486 10 10 EGCERO C[C@H]([NH2+][C@@H]1CCCN(c2cccnn2)C1)c1cc(Cl)ccc1O ZINC000186050619 455683906 /nfs/dbraw/zinc/68/39/06/455683906.db2.gz DEKFMEIZWHCRRI-GXTWGEPZSA-N 1 0 332.835 3.155 10 10 EGCERO C[C@H]([NH2+][C@H]1CCCN(c2cccnn2)C1)c1cc(Cl)ccc1O ZINC000186050655 455684106 /nfs/dbraw/zinc/68/41/06/455684106.db2.gz DEKFMEIZWHCRRI-JSGCOSHPSA-N 1 0 332.835 3.155 10 10 EGCERO Cc1ccccc1[C@H](O)C[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000268851422 455716153 /nfs/dbraw/zinc/71/61/53/455716153.db2.gz CIJIWBFHPMMMNJ-LAUBAEHRSA-N 1 0 340.467 3.216 10 10 EGCERO CCO[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CCCC3)cc2)C12CCOCC2 ZINC000186241361 455724312 /nfs/dbraw/zinc/72/43/12/455724312.db2.gz DLTJQOASZDVDLL-UXHICEINSA-N 1 0 344.499 3.351 10 10 EGCERO Cc1cc(Cl)cc(C[N@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)c1O ZINC000294734557 455824349 /nfs/dbraw/zinc/82/43/49/455824349.db2.gz GNROMAWLUWOSIT-UONOGXRCSA-N 1 0 344.842 3.135 10 10 EGCERO CC(C)(C)OC(=O)N1CCC[C@@]2(CC[N@@H+]2Cc2ccccc2O)C1 ZINC000291077003 456520271 /nfs/dbraw/zinc/52/02/71/456520271.db2.gz TZAKOFJVAYYSRI-LJQANCHMSA-N 1 0 332.444 3.368 10 10 EGCERO Cc1cccc(C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)c1O ZINC000277368899 456797420 /nfs/dbraw/zinc/79/74/20/456797420.db2.gz FPQQKGMTUJXRBU-GOEBONIOSA-N 1 0 334.460 3.436 10 10 EGCERO CCOc1cccc(C[NH2+][C@@H]2CCc3cnn(C(C)C)c3C2)c1O ZINC000365143061 457728620 /nfs/dbraw/zinc/72/86/20/457728620.db2.gz UUMNFXLKDGPDFG-MRXNPFEDSA-N 1 0 329.444 3.215 10 10 EGCERO CC(=O)c1cc(F)cc(C[NH2+][C@H]2CCN(C)[C@H]2c2ccccc2)c1O ZINC000375063146 457776203 /nfs/dbraw/zinc/77/62/03/457776203.db2.gz CKRGRMASQOLXCD-OALUTQOASA-N 1 0 342.414 3.269 10 10 EGCERO CCOc1ccc(O)c(C[NH+]2CCC(n3cc(Cl)cn3)CC2)c1 ZINC000367877385 457992969 /nfs/dbraw/zinc/99/29/69/457992969.db2.gz GVTFAYLZMNCKPC-UHFFFAOYSA-N 1 0 335.835 3.478 10 10 EGCERO CCOC(=O)C[C@H]1C[C@H](OC)C[N@@H+]1Cc1c(O)ccc2ccccc21 ZINC000376949356 458427299 /nfs/dbraw/zinc/42/72/99/458427299.db2.gz OCPIEXUJAFXWKH-CVEARBPZSA-N 1 0 343.423 3.088 10 10 EGCERO CCC1CN(C(=O)Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)C1 ZINC000457280861 458912038 /nfs/dbraw/zinc/91/20/38/458912038.db2.gz RNYJVKGDTJMWOE-UHFFFAOYSA-N 1 0 339.483 3.276 10 10 EGCERO CCOc1cc(C[NH2+]Cc2cc(OC)ccc2O)c(F)cc1OC ZINC000527661927 459689808 /nfs/dbraw/zinc/68/98/08/459689808.db2.gz YKAPIVBBKRSUHF-UHFFFAOYSA-N 1 0 335.375 3.237 10 10 EGCERO O=C(NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C1=CC(=O)CS1 ZINC000732293633 575256285 /nfs/dbraw/zinc/25/62/85/575256285.db2.gz PCOACLYNZYGIMS-MQVJKMGUSA-N 1 0 342.464 3.379 10 10 EGCERO CCCN(CCC)c1ccc(C[NH2+][C@H]2CC(=O)N(C(C)C)C2)cc1 ZINC000738438812 576326211 /nfs/dbraw/zinc/32/62/11/576326211.db2.gz GELQCUXWGKTMKH-SFHVURJKSA-N 1 0 331.504 3.412 10 10 EGCERO COc1cc(O)c(C[N@H+](C)[C@@H](C)Cc2ccc(O)cc2)cc1OC ZINC000180192622 1294868807 /nfs/dbraw/zinc/86/88/07/1294868807.db2.gz YYMNRUYHJZRENM-ZDUSSCGKSA-N 1 0 331.412 3.178 10 10 EGCERO O=C([C@H]1CCC[N@H+](Cc2ccccc2)C1)N1Cc2cccc(O)c2C1 ZINC000871201375 1296270355 /nfs/dbraw/zinc/27/03/55/1296270355.db2.gz UOZRLKWHMCUKKN-SFHVURJKSA-N 1 0 336.435 3.147 10 10 EGCERO COc1ccc(N2CCC([NH2+]C[C@@H]3C[C@@H]4CCC[C@H]4O3)CC2)cc1 ZINC000872108974 1296735051 /nfs/dbraw/zinc/73/50/51/1296735051.db2.gz FTJWGPYMEKAWMC-RYGJVYDSSA-N 1 0 330.472 3.211 10 10 EGCERO C[C@@H]1C[C@@H](NCc2ccc(O)c(O)c2)CC[N@@H+]1Cc1ccccc1 ZINC000379631122 1297535501 /nfs/dbraw/zinc/53/55/01/1297535501.db2.gz RBPOZVUYNGWLDG-QAPCUYQASA-N 1 0 326.440 3.241 10 10 EGCERO COc1cc(C)cc(C[NH2+][C@@H]2CC[C@H](C(=O)OC(C)(C)C)C2)c1O ZINC000895087409 1309187237 /nfs/dbraw/zinc/18/72/37/1309187237.db2.gz GOUYBKBTNLSPCD-DZGCQCFKSA-N 1 0 335.444 3.309 10 10 EGCERO COc1ccc(N2CC[C@@H]([NH2+]Cc3cc(C)cc(OC)c3O)C2)cc1 ZINC000895227872 1309248156 /nfs/dbraw/zinc/24/81/56/1309248156.db2.gz FIYPEYXBFKORFZ-MRXNPFEDSA-N 1 0 342.439 3.086 10 10 EGCERO COc1cc(Br)cc(C[N@@H+]2C[C@H](OC)CC[C@H]2C)c1O ZINC000895945278 1309604579 /nfs/dbraw/zinc/60/45/79/1309604579.db2.gz IPLOWWUFALJCPK-ZWNOBZJWSA-N 1 0 344.249 3.163 10 10 EGCERO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC000895975101 1309622147 /nfs/dbraw/zinc/62/21/47/1309622147.db2.gz SHHMITMUBZDYMF-LBPRGKRZSA-N 1 0 348.468 3.163 10 10 EGCERO C[C@@H]([NH2+]Cc1ccc(N2CCC(CO)CC2)cc1)[C@@H]1C[C@H]1C1CC1 ZINC000858106811 1328683461 /nfs/dbraw/zinc/68/34/61/1328683461.db2.gz SRQOYNVCMVERPS-NQERJWCQSA-N 1 0 328.500 3.420 10 10 EGCERO COc1ncc(Br)cc1C[NH2+]Cc1cc(C)ccc1O ZINC000858249812 1328722138 /nfs/dbraw/zinc/72/21/38/1328722138.db2.gz XOOISFZOLODQHG-UHFFFAOYSA-N 1 0 337.217 3.157 10 10 EGCERO O=[N+]([O-])c1cc(C[NH2+][C@H]2CO[C@@H](C3CC3)C2)ccc1N1CCCCC1 ZINC000858296455 1328732136 /nfs/dbraw/zinc/73/21/36/1328732136.db2.gz TVSLUPBEFUPNMX-VQIMIIECSA-N 1 0 345.443 3.242 10 10 EGCERO COc1cccc([C@@H](C)[NH2+]Cc2c(C(F)(F)F)cnn2C)c1O ZINC000858452265 1328766156 /nfs/dbraw/zinc/76/61/56/1328766156.db2.gz IJUPETZKPNYYAM-SECBINFHSA-N 1 0 329.322 3.004 10 10 EGCERO COc1ncc(Br)cc1C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000858494509 1328779102 /nfs/dbraw/zinc/77/91/02/1328779102.db2.gz KHSIWLZARGHJGA-CYBMUJFWSA-N 1 0 349.228 3.335 10 10 EGCERO C[C@H]([NH2+][C@@H]1CO[C@H](C2CC2)C1)c1cc(Br)ccc1O ZINC000858548940 1328792994 /nfs/dbraw/zinc/79/29/94/1328792994.db2.gz XOBIMQKRLPWXOU-FMSQNYNMSA-N 1 0 326.234 3.373 10 10 EGCERO C[C@H]([NH2+][C@@H]1CO[C@@H](C2CC2)C1)c1ccc(Br)cc1O ZINC000858548634 1328793242 /nfs/dbraw/zinc/79/32/42/1328793242.db2.gz WITPVPAPXZXRCC-ONENECBXSA-N 1 0 326.234 3.373 10 10 EGCERO CO[C@H]1C[C@@H](C[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2Cl)C1 ZINC000858593144 1328804171 /nfs/dbraw/zinc/80/41/71/1328804171.db2.gz UIELIIAPFVZVLA-FMKPAKJESA-N 1 0 338.879 3.252 10 10 EGCERO COc1ccc(N2CC[C@@H]([NH2+]Cc3cnn(CC4CCC4)c3)C2)cc1 ZINC000922236361 1322484591 /nfs/dbraw/zinc/48/45/91/1322484591.db2.gz AFQFRTSRHDPFCA-GOSISDBHSA-N 1 0 340.471 3.060 10 10 EGCERO C[C@@H]1[C@H](C)OC[C@]12CC[C@@H](C[NH2+]Cc1ccc3c(c1)CCCO3)O2 ZINC000922339327 1322505465 /nfs/dbraw/zinc/50/54/65/1322505465.db2.gz PITVYWIOTGFPJR-HCCHORAYSA-N 1 0 331.456 3.074 10 10 EGCERO c1cc(N2CCCCC2)ccc1C[NH2+]C[C@H]1CCC2(CCOCC2)O1 ZINC000922809305 1322623586 /nfs/dbraw/zinc/62/35/86/1322623586.db2.gz CWANMBYKKSDKKB-HXUWFJFHSA-N 1 0 344.499 3.495 10 10 EGCERO CN(C)c1cc(F)c(C[NH2+][C@H]2C[C@@](CO)(c3ccccc3)C2)cc1F ZINC000923006436 1322672795 /nfs/dbraw/zinc/67/27/95/1322672795.db2.gz HRCOMEVTKUWSQD-MOBUCQHHSA-N 1 0 346.421 3.213 10 10 EGCERO CC1(C)CC2(CC([NH2+]Cc3ccc(N4CCOCC4)c(F)c3)C2)CO1 ZINC000924710324 1323126677 /nfs/dbraw/zinc/12/66/77/1323126677.db2.gz KCTCPVLZIMZQIY-UHFFFAOYSA-N 1 0 348.462 3.100 10 10 EGCERO C[C@@H]([NH2+]C1CC2(C1)CO[C@H](C)C2)c1ccc(N2CCOCC2)cc1 ZINC000924794762 1323165516 /nfs/dbraw/zinc/16/55/16/1323165516.db2.gz HJWNOONGWFANQU-MKKMNNAKSA-N 1 0 330.472 3.131 10 10 EGCERO Cc1cc(CC[NH2+][C@@H](C)c2cc(Br)ccc2O)nn1C ZINC000926909561 1327770227 /nfs/dbraw/zinc/77/02/27/1327770227.db2.gz GWIMMSRNLGILGV-NSHDSACASA-N 1 0 338.249 3.090 10 10 EGCERO C[C@H]([NH2+]C[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21)c1ccccc1O ZINC000926992316 1327810285 /nfs/dbraw/zinc/81/02/85/1327810285.db2.gz IBMNWBNOUGQAFB-QCEMKRCNSA-N 1 0 332.444 3.156 10 10 EGCERO CCN(C)c1ccc([C@H](C)[NH2+]C[C@@H]2CCN2C2CCOCC2)cc1 ZINC000927105186 1327866146 /nfs/dbraw/zinc/86/61/46/1327866146.db2.gz CWRUEAQMKVXUKU-JXFKEZNVSA-N 1 0 331.504 3.047 10 10 EGCERO CCOC(=O)c1cccc(C[NH2+]Cc2ccc(N(CC)CC)cc2)n1 ZINC000862271783 1329473121 /nfs/dbraw/zinc/47/31/21/1329473121.db2.gz BQNBAWYZEZNRGJ-UHFFFAOYSA-N 1 0 341.455 3.394 10 10 EGCERO COc1cccc(C[NH2+]Cc2ccc(OC)c(OC3CC3)c2)c1O ZINC000862366072 1329478511 /nfs/dbraw/zinc/47/85/11/1329478511.db2.gz CINMNDKPYVKYFV-UHFFFAOYSA-N 1 0 329.396 3.240 10 10 EGCERO C[C@@H]([NH2+][C@H]1C[C@@H](C)O[C@@H]1C)c1ccc(N2CCOCC2)cc1Cl ZINC000866443400 1330113202 /nfs/dbraw/zinc/11/32/02/1330113202.db2.gz LTTDEGOVKBLOMB-MMQJMDILSA-N 1 0 338.879 3.393 10 10 EGCERO C[C@H]([NH2+][C@H]1[C@@H]2OC[C@H]3C[C@H]1C[C@H]23)c1cc(Br)ccc1O ZINC000866446741 1330113532 /nfs/dbraw/zinc/11/35/32/1330113532.db2.gz WYCNGEYIHYGMPE-RFEWNFQQSA-N 1 0 338.245 3.229 10 10 EGCERO CC[C@@H]1CCC[C@@H]1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001134881623 1376765771 /nfs/dbraw/zinc/76/57/71/1376765771.db2.gz BGOPKDBTGCGSRF-MNEFBYGVSA-N 1 0 331.504 3.298 10 10 EGCERO COc1ccc(C[NH2+]C/C=C/CNC(=O)[C@@H]2C[C@H]2C(C)C)cc1C ZINC001274470279 1378126228 /nfs/dbraw/zinc/12/62/28/1378126228.db2.gz ACTILYYLCNGIOG-HQYUYXFKSA-N 1 0 330.472 3.058 10 10 EGCERO CN(C)c1ccc(CN(C(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)C2CC2)cc1 ZINC001141506183 1378336433 /nfs/dbraw/zinc/33/64/33/1378336433.db2.gz STRIOWDADNUCHZ-FXAWDEMLSA-N 1 0 343.515 3.364 10 10 EGCERO CN1C(=O)c2ccccc2[C@H]1C[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001328701353 1388813632 /nfs/dbraw/zinc/81/36/32/1388813632.db2.gz YPQANOJWHDCKQH-HXUWFJFHSA-N 1 0 335.451 3.203 10 10 EGCERO CCCOc1ccnc(NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)n1 ZINC001164318684 1383177301 /nfs/dbraw/zinc/17/73/01/1383177301.db2.gz XAPSKKPYBOHXQH-KRWDZBQOSA-N 1 0 343.475 3.046 10 10 EGCERO Cc1cc(CCNC(=O)C2(C[NH+](C)C)CC2)c(C)n1-c1ccccc1 ZINC001301988627 1383738154 /nfs/dbraw/zinc/73/81/54/1383738154.db2.gz DVCAKXIVGLTRRD-UHFFFAOYSA-N 1 0 339.483 3.095 10 10 EGCERO Cc1cc(C[N@@H+](C)[C@@H](CC(C)C)C(N)=O)ccc1N1CCCCC1 ZINC001308026515 1384077291 /nfs/dbraw/zinc/07/72/91/1384077291.db2.gz LATLVRVAXXOSGZ-IBGZPJMESA-N 1 0 331.504 3.317 10 10 EGCERO CC[NH+](CC)[C@H](C)CNC(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC001312633142 1384361602 /nfs/dbraw/zinc/36/16/02/1384361602.db2.gz ALAWKRIPDPPODT-DLBZAZTESA-N 1 0 348.535 3.022 10 10 EGCERO Cc1cc(F)ccc1[C@@H](C)[NH2+]CC(=O)NCc1ccc(N(C)C)cc1 ZINC001175991282 1385454642 /nfs/dbraw/zinc/45/46/42/1385454642.db2.gz DIZHLTWOVFYSMY-OAHLLOKOSA-N 1 0 343.446 3.167 10 10 EGCERO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]CC[S@](=O)CC(F)(F)F ZINC001329574402 1389162138 /nfs/dbraw/zinc/16/21/38/1389162138.db2.gz SQXCCEQRZUWPAP-RUYXUOGBSA-N 1 0 335.391 3.150 10 10 EGCERO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]CC[S@@](=O)CC(F)(F)F ZINC001329574401 1389162157 /nfs/dbraw/zinc/16/21/57/1389162157.db2.gz SQXCCEQRZUWPAP-NFULHVNHSA-N 1 0 335.391 3.150 10 10 EGCERO c1cc(N2CCCC2)ccc1C[NH2+]C[C@@H]1CCC2(CCOCC2)O1 ZINC001334329817 1390517730 /nfs/dbraw/zinc/51/77/30/1390517730.db2.gz JJWIWCCDFFIXGK-IBGZPJMESA-N 1 0 330.472 3.105 10 10 EGCERO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(Br)cc2O)[C@@H]1SC ZINC001350627041 1391493745 /nfs/dbraw/zinc/49/37/45/1391493745.db2.gz SVGCYNRYZXGHNV-BNOWGMLFSA-N 1 0 346.290 3.153 10 10 EGCERO CC/C=C(\C)C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001479282537 1392204749 /nfs/dbraw/zinc/20/47/49/1392204749.db2.gz HFOCNIQELYEOIY-LDUCTVMHSA-N 1 0 330.472 3.344 10 10 EGCERO COc1ccc(C[NH2+]CCN(C)C(=O)c2cccc(C)c2C)cc1C ZINC001481309971 1393161827 /nfs/dbraw/zinc/16/18/27/1393161827.db2.gz KPONJURTSDGANW-UHFFFAOYSA-N 1 0 340.467 3.482 10 10 EGCERO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NC[C@@H]1CCCC[N@@H+]1C ZINC001687776659 1396489706 /nfs/dbraw/zinc/48/97/06/1396489706.db2.gz QCLVTOCCMXHTGN-IBGZPJMESA-N 1 0 346.519 3.157 10 10 EGCERO CCCC[NH2+][C@@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@H]1C ZINC001496373121 1396673855 /nfs/dbraw/zinc/67/38/55/1396673855.db2.gz CKTUQPDJBOPRIO-CZUORRHYSA-N 1 0 345.447 3.089 10 10 EGCERO COc1ccc(C[NH2+][C@@H](C)CNC(=O)C(F)=C2CCCC2)cc1C ZINC001690566648 1404634820 /nfs/dbraw/zinc/63/48/20/1404634820.db2.gz MMRHEQMFOGWFOC-AWEZNQCLSA-N 1 0 334.435 3.396 10 10 EGCERO CCC[NH2+][C@H](C)C1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC001691696378 1405429647 /nfs/dbraw/zinc/42/96/47/1405429647.db2.gz USEVPOREMNGUTA-CYBMUJFWSA-N 1 0 345.447 3.089 10 10 EGCERO CCCN(C(=O)c1ccc(N=NC(N)=O)cc1)[C@@H]1CC[N@@H+](C(C)C)C1 ZINC001691869921 1405592095 /nfs/dbraw/zinc/59/20/95/1405592095.db2.gz RVRVGPHCUYMJKZ-MRXNPFEDSA-N 1 0 345.447 3.184 10 10 EGCERO CC/C=C\CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001699642281 1413022093 /nfs/dbraw/zinc/02/20/93/1413022093.db2.gz MXCFVAYQNWKCMY-BTVVXOBGSA-N 1 0 343.431 3.009 10 10 EGCERO COc1ccc(C[NH2+]CC[C@@H]2CCN(C(=O)C(C)(C)C)C2)cc1C ZINC001733673546 1429868123 /nfs/dbraw/zinc/86/81/23/1429868123.db2.gz IUUUSWWDIYTICR-MRXNPFEDSA-N 1 0 332.488 3.378 10 10 EGCERO COc1ccc(C[NH2+][C@@H](C)[C@H](C)NC(=O)C2CC3(CC3)C2)cc1C ZINC001700417595 1413963734 /nfs/dbraw/zinc/96/37/34/1413963734.db2.gz IBPAMGZVXCBSKY-GJZGRUSLSA-N 1 0 330.472 3.177 10 10 EGCERO COc1ccc(C[NH2+]C/C=C/CNC(=O)C(C)=C2CCC2)cc1C ZINC001732848853 1429007775 /nfs/dbraw/zinc/00/77/75/1429007775.db2.gz OTRZFXOJTDJHQU-SNAWJCMRSA-N 1 0 328.456 3.266 10 10 EGCERO COc1ccc(C[NH2+][C@H](CNC(=O)[C@H](C)C2CCC2)C2CC2)cc1C ZINC001713112161 1417674933 /nfs/dbraw/zinc/67/49/33/1417674933.db2.gz GITDNKNCHVOOIN-DNVCBOLYSA-N 1 0 344.499 3.424 10 10 EGCERO COc1ccc(C[NH2+][C@@H](CNC(=O)[C@@H](C)C2CCC2)C2CC2)cc1C ZINC001713112168 1417674963 /nfs/dbraw/zinc/67/49/63/1417674963.db2.gz GITDNKNCHVOOIN-KXBFYZLASA-N 1 0 344.499 3.424 10 10 EGCERO COc1ccc(C[NH2+][C@@H](C)CNC(=O)c2ccccc2F)cc1C ZINC001713297130 1417924729 /nfs/dbraw/zinc/92/47/29/1417924729.db2.gz QPIMAMWWNMAYMI-AWEZNQCLSA-N 1 0 330.403 3.051 10 10 EGCERO COc1ccc(C[NH2+]C[C@H](NC(=O)[C@@H]2CCC2(C)C)C2CC2)cc1C ZINC001733179526 1429281253 /nfs/dbraw/zinc/28/12/53/1429281253.db2.gz JXLRJFOSCBFFLB-ROUUACIJSA-N 1 0 344.499 3.424 10 10 EGCERO CCCc1[nH]ccc1C(=O)N(C)CC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001714751323 1419494232 /nfs/dbraw/zinc/49/42/32/1419494232.db2.gz YPSWFJJYEWVCQW-UHFFFAOYSA-N 1 0 343.471 3.146 10 10 EGCERO COc1ccc(C[NH2+]C[C@@H](C)CNC(=O)/C=C(/C)C2CC2)cc1C ZINC001715220601 1419954616 /nfs/dbraw/zinc/95/46/16/1419954616.db2.gz KGISSLIABXMOKW-MKRLJBPISA-N 1 0 330.472 3.202 10 10 EGCERO COc1ccc(C[NH2+]C/C=C\CNC(=O)/C=C(\C)C2CC2)cc1C ZINC001716271640 1420590001 /nfs/dbraw/zinc/59/00/01/1420590001.db2.gz CHTSUUIQQZGMHI-FNKQUXTKSA-N 1 0 328.456 3.122 10 10 EGCERO COc1ccc(C[NH2+]CCCN(C)C(=O)[C@H](C)c2ccco2)cc1C ZINC001716567109 1420762847 /nfs/dbraw/zinc/76/28/47/1420762847.db2.gz HTTYMSCRILBEHN-MRXNPFEDSA-N 1 0 344.455 3.338 10 10 EGCERO COc1ccc(C[NH2+]CCC[C@@H](C)NC(=O)C2=COCCC2)cc1C ZINC001725378577 1426027888 /nfs/dbraw/zinc/02/78/88/1426027888.db2.gz PVKXGWBOBRAAKA-MRXNPFEDSA-N 1 0 346.471 3.072 10 10 EGCERO COc1ccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)c2cnc(C)s2)cc1C ZINC001733961829 1437767251 /nfs/dbraw/zinc/76/72/51/1437767251.db2.gz BLPQDXPMRQGOHB-QWHCGFSZSA-N 1 0 347.484 3.065 10 10 EGCERO COc1ccc(C[NH2+][C@H](C)[C@H](C)NC(=O)c2csnc2C)cc1C ZINC001733971469 1437772719 /nfs/dbraw/zinc/77/27/19/1437772719.db2.gz SLQHPBVOOJWRND-OLZOCXBDSA-N 1 0 347.484 3.065 10 10 EGCERO COc1ccc(C[NH2+]CCC[C@H](C)NC(=O)c2cscn2)cc1C ZINC001734227303 1437949768 /nfs/dbraw/zinc/94/97/68/1437949768.db2.gz AEMYWHUTAKGQFV-AWEZNQCLSA-N 1 0 347.484 3.148 10 10 EGCERO Fc1cccc2c1CC[C@H]2[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000071837175 203124295 /nfs/dbraw/zinc/12/42/95/203124295.db2.gz RSMCYYCHPHMNKP-HXUWFJFHSA-N 1 0 326.415 3.439 10 10 EGCERO C[C@H]([NH2+][C@@H](Cc1ccccc1)C(=O)N(C)C)c1ccc(N(C)C)cc1 ZINC000159076368 455349891 /nfs/dbraw/zinc/34/98/91/455349891.db2.gz GJTGGTKTLMHUSN-JXFKEZNVSA-N 1 0 339.483 3.103 10 10 EGCERO COc1ccc(N2CCC[N@H+](C[C@](C)(O)c3ccccc3)CC2)cc1 ZINC000075827370 453928749 /nfs/dbraw/zinc/92/87/49/453928749.db2.gz ZYXVATZAGHNAOU-NRFANRHFSA-N 1 0 340.467 3.115 10 10 EGCERO CN(CC(=O)OC(C)(C)C)[C@H]1CCC[N@H+](Cc2ccccc2O)CC1 ZINC000190851521 455392087 /nfs/dbraw/zinc/39/20/87/455392087.db2.gz PYTJDBCPNFGIEG-KRWDZBQOSA-N 1 0 348.487 3.020 10 10 EGCERO COc1ccc(NC(=O)[C@@H]2CCC[N@@H+]2Cc2cc(C)ccc2O)cc1 ZINC000091977261 454499453 /nfs/dbraw/zinc/49/94/53/454499453.db2.gz XRSVMVMNWATTSN-SFHVURJKSA-N 1 0 340.423 3.312 10 10 EGCERO CCOc1ccc(O)c(C[N@@H+]2CCC[C@H]2c2c(C)nn(C)c2C)c1 ZINC000122806050 454570405 /nfs/dbraw/zinc/57/04/05/454570405.db2.gz NBKHXVDURUPZEV-KRWDZBQOSA-N 1 0 329.444 3.478 10 10 EGCERO c1cc(N2CCOCC2)ccc1C[NH2+][C@@H]1CCOC2(CCCCC2)C1 ZINC000136723216 454753633 /nfs/dbraw/zinc/75/36/33/454753633.db2.gz OJQNEXCQTPUHGP-LJQANCHMSA-N 1 0 344.499 3.495 10 10 EGCERO Cc1cc(Cl)cc(C[NH+]2CCC(N3CCO[C@@H](C)C3)CC2)c1O ZINC000179785330 455079458 /nfs/dbraw/zinc/07/94/58/455079458.db2.gz FDINCTGFIGTRDL-AWEZNQCLSA-N 1 0 338.879 3.039 10 10 EGCERO Cc1cccc(NC(=O)[C@H]2CCC[N@H+](Cc3cc(F)ccc3O)C2)n1 ZINC000179938130 455102645 /nfs/dbraw/zinc/10/26/45/455102645.db2.gz JAHCTLFKHAUKPG-AWEZNQCLSA-N 1 0 343.402 3.085 10 10 EGCERO C[C@H]([NH2+][C@@H](Cc1ccccc1)C(=O)N(C)C)c1cc(Cl)ccc1O ZINC000185407490 455555750 /nfs/dbraw/zinc/55/57/50/455555750.db2.gz QASFRFHUNGDPRK-GUYCJALGSA-N 1 0 346.858 3.396 10 10 EGCERO C[C@H]([NH2+][C@H]1Cc2ccccc2[C@@H]1O)c1ccc(Br)cc1O ZINC000185466558 455562020 /nfs/dbraw/zinc/56/20/20/455562020.db2.gz KWWQKQYLPKUSGX-QXKQMHMISA-N 1 0 348.240 3.464 10 10 EGCERO COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCN(c3ccccc3OC)C2)c1 ZINC000185712058 455603320 /nfs/dbraw/zinc/60/33/20/455603320.db2.gz JKEROYGRALJLNP-HUUCEWRRSA-N 1 0 342.439 3.339 10 10 EGCERO Cc1cc(N2CCC[C@@H]([NH2+][C@H](C)c3cc(Cl)ccc3O)C2)n(C)n1 ZINC000278480685 455837622 /nfs/dbraw/zinc/83/76/22/455837622.db2.gz OSPWJZXILRKXMK-UKRRQHHQSA-N 1 0 348.878 3.407 10 10 EGCERO CC[C@@H]([NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F)[C@H](O)C(F)F ZINC000295062770 455838052 /nfs/dbraw/zinc/83/80/52/455838052.db2.gz OMLPXSSACZPHJX-OLZOCXBDSA-N 1 0 340.336 3.266 10 10 EGCERO C[C@@](CO)([NH2+]Cc1ccccc1O)c1ccc(Br)cc1 ZINC000285673178 455894204 /nfs/dbraw/zinc/89/42/04/455894204.db2.gz ZWPYBHCOPSLYQV-INIZCTEOSA-N 1 0 336.229 3.152 10 10 EGCERO Cc1cc(Cl)cc(C[N@@H+]2C[C@H](C)O[C@]3(CCO[C@H]3C)C2)c1O ZINC000280596130 456008944 /nfs/dbraw/zinc/00/89/44/456008944.db2.gz XVMAOULKMBTOJM-GDZNZVCISA-N 1 0 325.836 3.122 10 10 EGCERO Cc1cc(Cl)cc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)c1O ZINC000289593688 456132636 /nfs/dbraw/zinc/13/26/36/456132636.db2.gz KMVDSYWRNLIWGN-DGCLKSJQSA-N 1 0 337.769 3.347 10 10 EGCERO C[N@H+](Cc1ccc(OCc2ccccc2)cc1O)CC1(CO)CC1 ZINC000188960677 456183721 /nfs/dbraw/zinc/18/37/21/456183721.db2.gz QUGWULHEJHYOFY-UHFFFAOYSA-N 1 0 327.424 3.176 10 10 EGCERO CCOc1cccc(C[NH2+]C[C@@H](C)N(C)C(=O)OC(C)(C)C)c1O ZINC000282640966 456577512 /nfs/dbraw/zinc/57/75/12/456577512.db2.gz GYVVFSWFFKFCIH-CYBMUJFWSA-N 1 0 338.448 3.136 10 10 EGCERO CCN(C)c1ccc([C@H](C)[NH2+]C[C@@H]2CCC3(CCOCC3)[C@H]2O)cc1 ZINC000282978849 456680403 /nfs/dbraw/zinc/68/04/03/456680403.db2.gz DPZFOCNXXNAADO-QRFRQXIXSA-N 1 0 346.515 3.361 10 10 EGCERO Cc1ccc(O)c(C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)c1 ZINC000277252081 456744934 /nfs/dbraw/zinc/74/49/34/456744934.db2.gz AGPYVFLRHKEWMD-GOEBONIOSA-N 1 0 334.460 3.436 10 10 EGCERO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2cccnc2)C1 ZINC000572591957 459581697 /nfs/dbraw/zinc/58/16/97/459581697.db2.gz KGRSVYOAWWEODD-UHFFFAOYSA-N 1 0 348.450 3.442 10 10 EGCERO COc1ccc(CN2CC[C@@H]2C[NH2+]Cc2cc(C)c(C)cc2O)cc1 ZINC000527775987 459733148 /nfs/dbraw/zinc/73/31/48/459733148.db2.gz WWEOVJDWPICTAK-LJQANCHMSA-N 1 0 340.467 3.382 10 10 EGCERO O=C([C@H]1CCC[N@@H+](Cc2c(O)ccc3ccccc32)C1)N1CCCC1 ZINC000732191171 575243452 /nfs/dbraw/zinc/24/34/52/575243452.db2.gz OKFZCTLKUYOSPT-KRWDZBQOSA-N 1 0 338.451 3.380 10 10 EGCERO COc1ccc(C[NH2+]Cc2cc(Cl)ccc2O)c(F)c1OC ZINC000895137064 1309205499 /nfs/dbraw/zinc/20/54/99/1309205499.db2.gz QTYFYPBQPPXPAJ-UHFFFAOYSA-N 1 0 325.767 3.492 10 10 EGCERO CN(C)c1ccc(/C=C\C[NH2+]Cc2cnc(Br)cn2)cc1 ZINC000895407275 1309321923 /nfs/dbraw/zinc/32/19/23/1309321923.db2.gz PXSDJBGWNHYIHF-ARJAWSKDSA-N 1 0 347.260 3.108 10 10 EGCERO COc1ccc(N2CCC[N@H+](CCCc3cccnc3)CC2)cc1 ZINC000929315893 1328566116 /nfs/dbraw/zinc/56/61/16/1328566116.db2.gz LQCBGYQWLSOHEI-UHFFFAOYSA-N 1 0 325.456 3.235 10 10 EGCERO Cc1ncccc1/C=C\C(=O)N1C[C@@H]([NH+](C)C)CCc2ccccc21 ZINC000857927196 1328628596 /nfs/dbraw/zinc/62/85/96/1328628596.db2.gz ZLEOMKNMEQRHRY-QXFGJRORSA-N 1 0 335.451 3.313 10 10 EGCERO C[C@H]1CCCCN1CC[NH2+]Cc1c(O)cccc1Br ZINC000858099068 1328681848 /nfs/dbraw/zinc/68/18/48/1328681848.db2.gz UZHSDEYPBDVYML-LBPRGKRZSA-N 1 0 327.266 3.119 10 10 EGCERO C[C@@H]([NH2+]CC[C@@H]1CCCOC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000858446266 1328764235 /nfs/dbraw/zinc/76/42/35/1328764235.db2.gz WHKBHULYTBNRQY-CVEARBPZSA-N 1 0 336.451 3.130 10 10 EGCERO CC[C@@H]([NH2+]CC1(OCCO)CCC(F)(F)CC1)c1ccccc1O ZINC000858483429 1328775365 /nfs/dbraw/zinc/77/53/65/1328775365.db2.gz MAHWFGZTIONIDV-OAHLLOKOSA-N 1 0 343.414 3.390 10 10 EGCERO C[C@H]([NH2+][C@H]1[C@@H](C)[C@@H](C)O[C@H]1C)c1ccc(N2CCOCC2)c(F)c1 ZINC000858529713 1328789178 /nfs/dbraw/zinc/78/91/78/1328789178.db2.gz OLSUONJTTLNALI-RSEPMYMBSA-N 1 0 336.451 3.125 10 10 EGCERO COCC[N@@H+](Cc1c(O)c(C(=O)OC)cc2ccccc21)CC(C)C ZINC000914783790 1319376767 /nfs/dbraw/zinc/37/67/67/1319376767.db2.gz NXNXJUDFRGJHSD-UHFFFAOYSA-N 1 0 345.439 3.436 10 10 EGCERO C[C@@H]1OC[C@]2(CC[C@@H](C[NH2+]Cc3ccc4c(c3)CCCO4)O2)[C@H]1C ZINC000922339325 1322505442 /nfs/dbraw/zinc/50/54/42/1322505442.db2.gz PITVYWIOTGFPJR-BPQOCRPUSA-N 1 0 331.456 3.074 10 10 EGCERO CC[C@H](C[C@](C)(O)CC)[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000924760657 1323148263 /nfs/dbraw/zinc/14/82/63/1323148263.db2.gz REHNTQIAMZSBFV-TZIWHRDSSA-N 1 0 348.531 3.315 10 10 EGCERO C[C@@H]([NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1)c1ccnnc1 ZINC000924905190 1323207257 /nfs/dbraw/zinc/20/72/57/1323207257.db2.gz GKCLRZXPCKIWDD-CYBMUJFWSA-N 1 0 348.397 3.398 10 10 EGCERO COc1ccc(N2CCC([NH2+][C@H]3CCOC[C@@H]3C(C)C)CC2)cc1 ZINC000924904900 1323207963 /nfs/dbraw/zinc/20/79/63/1323207963.db2.gz DYQPDXVOYBSONH-UXHICEINSA-N 1 0 332.488 3.315 10 10 EGCERO C[C@H]([NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1)C(C)(C)CO ZINC000924908347 1323208709 /nfs/dbraw/zinc/20/87/09/1323208709.db2.gz VDKGTWXEACHWGZ-ZDUSSCGKSA-N 1 0 342.430 3.253 10 10 EGCERO Cc1cc(Br)cc([C@@H](C)[NH2+]Cc2cc(N)ccn2)c1O ZINC000925768452 1325291724 /nfs/dbraw/zinc/29/17/24/1325291724.db2.gz UWRZMDWLFMEUFY-SNVBAGLBSA-N 1 0 336.233 3.291 10 10 EGCERO Cc1cc(Cl)cc([C@@H](C)N[C@@H]2C[NH2+]CC3(CCOCC3)C2)c1O ZINC000925793226 1325304271 /nfs/dbraw/zinc/30/42/71/1325304271.db2.gz RHYIJKCSFWMMRM-HIFRSBDPSA-N 1 0 338.879 3.163 10 10 EGCERO COc1ccc(N2CC[C@H](C[NH2+][C@@H]3CCOC[C@@H]3C(C)C)C2)cc1 ZINC000926613538 1327636114 /nfs/dbraw/zinc/63/61/14/1327636114.db2.gz URDWNVRHDVKUAJ-NSISKUIASA-N 1 0 332.488 3.172 10 10 EGCERO COc1ccc(N2CC[C@H]([NH2+][C@@H](C3CC3)[C@@H]3CCCOC3)C2)cc1 ZINC000926679129 1327663241 /nfs/dbraw/zinc/66/32/41/1327663241.db2.gz AZDYKZMDVSXBQX-UWVAXJGDSA-N 1 0 330.472 3.069 10 10 EGCERO OC1CCN(c2ccc(C[NH2+][C@H]3CCOC34CCCCC4)cc2)CC1 ZINC000926725456 1327684855 /nfs/dbraw/zinc/68/48/55/1327684855.db2.gz SPYKOWQUECRWGY-FQEVSTJZSA-N 1 0 344.499 3.229 10 10 EGCERO NC(=O)C1CCN(c2ccc(C[NH2+][C@H]3CC4CCC3CC4)cc2)CC1 ZINC000926875193 1327750875 /nfs/dbraw/zinc/75/08/75/1327750875.db2.gz ASPWHRGVEOYRAR-LAGYLCCXSA-N 1 0 341.499 3.057 10 10 EGCERO CC1([NH+]2CCCC2)CCC(NC(=O)/C=C\c2ccc(O)c(O)c2)CC1 ZINC000928009649 1328170151 /nfs/dbraw/zinc/17/01/51/1328170151.db2.gz HFWDKNRWOKAMAT-ALCCZGGFSA-N 1 0 344.455 3.024 10 10 EGCERO Cc1cc(O)c(C[NH2+]C[C@H]2c3ccccc3C(=O)N2C)cc1Cl ZINC000862518050 1329491819 /nfs/dbraw/zinc/49/18/19/1329491819.db2.gz WWZBREDYDKKLQQ-INIZCTEOSA-N 1 0 330.815 3.271 10 10 EGCERO COC[C@@]1(C)CN(Cc2ccc(N(C)C)cc2C(F)(F)F)CCO1 ZINC000862552462 1329496168 /nfs/dbraw/zinc/49/61/68/1329496168.db2.gz ZJOFJQAVJJPHQG-MRXNPFEDSA-N 1 0 346.393 3.009 10 10 EGCERO C[C@@H]1CC[C@H](NCc2ccc(OCc3ccccc3)cc2O)C[NH2+]1 ZINC000863485129 1329557692 /nfs/dbraw/zinc/55/76/92/1329557692.db2.gz VBOFKIMIRZTNHW-QAPCUYQASA-N 1 0 326.440 3.201 10 10 EGCERO CN(C)c1ccc(/C=C/CN2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1 ZINC000863646418 1329570222 /nfs/dbraw/zinc/57/02/22/1329570222.db2.gz SJUUBDHXIPJZGB-PKOQZONYSA-N 1 0 341.421 3.225 10 10 EGCERO Cc1cc(C[NH2+][C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)on1 ZINC000865462217 1329700477 /nfs/dbraw/zinc/70/04/77/1329700477.db2.gz KYNQISJLLQLWTG-OAHLLOKOSA-N 1 0 335.835 3.096 10 10 EGCERO Fc1ccc2c(c1)onc2C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000865836071 1329743872 /nfs/dbraw/zinc/74/38/72/1329743872.db2.gz PIYKCXJUSIUQLM-UHFFFAOYSA-N 1 0 341.386 3.093 10 10 EGCERO CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@@H](Cc3nccs3)C2)c1O ZINC000934332148 1329967505 /nfs/dbraw/zinc/96/75/05/1329967505.db2.gz IEFIDNVAXAOTIF-LBPRGKRZSA-N 1 0 334.416 3.255 10 10 EGCERO C[C@H](NC(=O)NCCCCC[NH+]1CCCCC1)c1ccccc1O ZINC000868238841 1330263998 /nfs/dbraw/zinc/26/39/98/1330263998.db2.gz WRKMBTSZQYMQMY-INIZCTEOSA-N 1 0 333.476 3.409 10 10 EGCERO CN1CCN(c2ccc(C[NH2+][C@H]3CCCC(F)(F)C3)cc2F)CC1 ZINC001324048547 1387519032 /nfs/dbraw/zinc/51/90/32/1387519032.db2.gz JQXMEQVUUNIHLB-HNNXBMFYSA-N 1 0 341.421 3.245 10 10 EGCERO COc1ccc2c(C[NH2+][C@@H](C)c3ccccc3O)cc(=O)oc2c1 ZINC001197003860 1368729606 /nfs/dbraw/zinc/72/96/06/1368729606.db2.gz LCEANNQRANUVRO-LBPRGKRZSA-N 1 0 325.364 3.358 10 10 EGCERO CC[C@@H]1C(=O)NCCC[N@H+]1Cc1ccc(N2CCCCC2)c(C)c1 ZINC001198051310 1368950703 /nfs/dbraw/zinc/95/07/03/1368950703.db2.gz QRMGZUHQHQRBPG-GOSISDBHSA-N 1 0 329.488 3.086 10 10 EGCERO CC1(C)C[N@H+](Cc2ccc(N3CCCC3)cc2)C[C@@]2(CCOC2)O1 ZINC001116866199 1370990294 /nfs/dbraw/zinc/99/02/94/1370990294.db2.gz VTSZQCWQZIPDOF-HXUWFJFHSA-N 1 0 330.472 3.057 10 10 EGCERO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]C[C@H](C)N1C[C@@H](C)O[C@@H](C)C1 ZINC001118325254 1371163558 /nfs/dbraw/zinc/16/35/58/1371163558.db2.gz GCUKTUGXHKCQBD-BPKGMFCQSA-N 1 0 332.488 3.336 10 10 EGCERO CC/C=C/CC[NH2+][C@H]1C[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001266640508 1377356715 /nfs/dbraw/zinc/35/67/15/1377356715.db2.gz WPMQCXWVUORQFK-UYGCYUEDSA-N 1 0 343.431 3.056 10 10 EGCERO COc1ccc(N2CC[NH+](Cc3c(C)cc(C)nc3C)CC2)cc1F ZINC001168067682 1383809146 /nfs/dbraw/zinc/80/91/46/1383809146.db2.gz JZKLXPNJKRHEEM-UHFFFAOYSA-N 1 0 343.446 3.477 10 10 EGCERO COc1ccc(N2CCC[N@@H+](C[C@@H](OC)C3CCCC3)CC2)cc1 ZINC001307424154 1383988851 /nfs/dbraw/zinc/98/88/51/1383988851.db2.gz OIRCBTYCFSVWPT-HXUWFJFHSA-N 1 0 332.488 3.413 10 10 EGCERO CC[C@H](C)[C@@H](C)[NH+]1CCN(c2cc(OC)c(OC)c(OC)c2)CC1 ZINC001169072471 1384103423 /nfs/dbraw/zinc/10/34/23/1384103423.db2.gz JNEBJPNEOGXROX-LSDHHAIUSA-N 1 0 336.476 3.269 10 10 EGCERO c1cc(CC[NH2+]Cc2ccc(N3CCCC3)cc2)c2c(c1)OCCO2 ZINC001308531995 1384131263 /nfs/dbraw/zinc/13/12/63/1384131263.db2.gz RGSDCFWPPIMKLF-UHFFFAOYSA-N 1 0 338.451 3.390 10 10 EGCERO CCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001316707965 1384532219 /nfs/dbraw/zinc/53/22/19/1384532219.db2.gz ABKSHINNKSFCKL-CJNGLKHVSA-N 1 0 345.447 3.089 10 10 EGCERO COc1ccc(N(C)CC[N@H+](C)C[C@H](O)c2ccc(C)cc2)cc1 ZINC001171729605 1384616524 /nfs/dbraw/zinc/61/65/24/1384616524.db2.gz MAIHBWAKIHVABU-FQEVSTJZSA-N 1 0 328.456 3.105 10 10 EGCERO COC1CCN(c2ccc(C[NH2+]C3([C@@H]4CCCO4)CCC3)cc2)CC1 ZINC001176939962 1385749613 /nfs/dbraw/zinc/74/96/13/1385749613.db2.gz PFRWDLKPNDUKSH-FQEVSTJZSA-N 1 0 344.499 3.493 10 10 EGCERO COc1ccc(C[NH2+]C[C@H](C)NC(=O)[C@H](C)c2cccs2)cc1C ZINC001321981017 1387023659 /nfs/dbraw/zinc/02/36/59/1387023659.db2.gz IVYCYCAPPXNVAZ-LSDHHAIUSA-N 1 0 346.496 3.463 10 10 EGCERO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]CC[S@@](=O)CC(F)(F)F ZINC001329574403 1389161804 /nfs/dbraw/zinc/16/18/04/1389161804.db2.gz SQXCCEQRZUWPAP-XJUBTRFSSA-N 1 0 335.391 3.150 10 10 EGCERO COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)c2ccc(Cl)[nH]2)cc1C ZINC001331547435 1389794683 /nfs/dbraw/zinc/79/46/83/1389794683.db2.gz NNNCSYYNLNPDET-CYBMUJFWSA-N 1 0 349.862 3.235 10 10 EGCERO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001332723212 1390169304 /nfs/dbraw/zinc/16/93/04/1390169304.db2.gz DLTLMMOXFZUHOY-NRFANRHFSA-N 1 0 341.499 3.121 10 10 EGCERO Cc1ccsc1[C@@H](CO)[NH2+]Cc1c(O)cccc1Br ZINC001334890144 1390613635 /nfs/dbraw/zinc/61/36/35/1390613635.db2.gz GTGVLYRQAWAMCQ-GFCCVEGCSA-N 1 0 342.258 3.348 10 10 EGCERO CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001353920607 1392108177 /nfs/dbraw/zinc/10/81/77/1392108177.db2.gz YXKMSJVKHFJNFF-IBGZPJMESA-N 1 0 329.488 3.118 10 10 EGCERO COc1ccc(C[NH2+]CCN(C)C(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)cc1C ZINC001481233728 1393151855 /nfs/dbraw/zinc/15/18/55/1393151855.db2.gz XJVSDDGVJCEXEX-NZSAHSFTSA-N 1 0 342.483 3.154 10 10 EGCERO CC(C)CCC[NH2+][C@H]1C[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001491083894 1394422425 /nfs/dbraw/zinc/42/24/25/1394422425.db2.gz YACVQEJTLFABPL-IYBDPMFKSA-N 1 0 345.447 3.136 10 10 EGCERO COc1ccc(C[NH2+][C@@H](CNC(=O)[C@H]2CC2(C)C)C2CC2)cc1C ZINC001690149655 1404349024 /nfs/dbraw/zinc/34/90/24/1404349024.db2.gz OWBIBKJCFFHZBA-SJORKVTESA-N 1 0 330.472 3.034 10 10 EGCERO COc1ccc(C[NH2+]CCN(C)C(=O)c2ccc(C)c(F)c2)cc1C ZINC001691383562 1405221271 /nfs/dbraw/zinc/22/12/71/1405221271.db2.gz LXPIGKUQVDUZEK-UHFFFAOYSA-N 1 0 344.430 3.313 10 10 EGCERO COc1ccc(C[NH2+][C@H]2C[C@@H](CNC(=O)C3(F)CCCC3)C2)cc1C ZINC001691716347 1405441951 /nfs/dbraw/zinc/44/19/51/1405441951.db2.gz JBWGTPVAQACOEK-CALCHBBNSA-N 1 0 348.462 3.270 10 10 EGCERO COc1ccc(C[NH2+]C[C@H](C)CNC(=O)[C@@H](C)C(F)(F)F)cc1C ZINC001732356768 1428546452 /nfs/dbraw/zinc/54/64/52/1428546452.db2.gz ZKQPTGJMJIQLFZ-WCQYABFASA-N 1 0 346.393 3.044 10 10 EGCERO COc1ccc(C[NH2+]C/C=C/CNC(=O)C2CC3(CCC3)C2)cc1C ZINC001699293980 1412619707 /nfs/dbraw/zinc/61/97/07/1412619707.db2.gz HQHHTRHBLJEPNC-ONEGZZNKSA-N 1 0 342.483 3.346 10 10 EGCERO COc1ccc(C[NH2+]C/C=C\CNC(=O)C2(F)CCCCC2)cc1C ZINC001699331175 1412643366 /nfs/dbraw/zinc/64/33/66/1412643366.db2.gz OXZKYVTXDSVEDO-SREVYHEPSA-N 1 0 348.462 3.438 10 10 EGCERO CC/C=C\CC[N@H+](C)C[C@@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001699476312 1412868799 /nfs/dbraw/zinc/86/87/99/1412868799.db2.gz KXHZFSSFKJFOEF-GTHZXHAMSA-N 1 0 345.447 3.255 10 10 EGCERO CCCc1[nH]ccc1C(=O)NC[C@@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001713333233 1417956950 /nfs/dbraw/zinc/95/69/50/1417956950.db2.gz UPCVTTLXBFWOBO-OAHLLOKOSA-N 1 0 343.471 3.192 10 10 EGCERO COc1ccc(C[NH2+]C[C@H](NC(=O)[C@H]2C[C@H]3C[C@H]3C2)C2CC2)cc1C ZINC001733180421 1429282636 /nfs/dbraw/zinc/28/26/36/1429282636.db2.gz HLAHDSZEXTXPMR-MANSERQUSA-N 1 0 342.483 3.034 10 10 EGCERO CC[C@@H](CNC(=O)[C@H](C)n1cccc1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001714066614 1418862842 /nfs/dbraw/zinc/86/28/42/1418862842.db2.gz DWCYIHHUPJJFJL-WMZOPIPTSA-N 1 0 343.471 3.051 10 10 EGCERO COc1ccc(C[NH2+]C[C@@H](C)CNC(=O)[C@H](C)C2CCC2)cc1C ZINC001715235684 1419966735 /nfs/dbraw/zinc/96/67/35/1419966735.db2.gz ODAGKZROWGWZLQ-GDBMZVCRSA-N 1 0 332.488 3.282 10 10 EGCERO COc1ccc(C[NH2+]C[C@H](C)NC(=O)c2cccc(C)c2F)cc1C ZINC001715975329 1420436125 /nfs/dbraw/zinc/43/61/25/1420436125.db2.gz ACFDXTCYDCUYFK-HNNXBMFYSA-N 1 0 344.430 3.359 10 10 EGCERO COc1ccc(C[NH2+]C[C@H](C)NC(=O)c2cnoc2C(C)C)cc1C ZINC001716458632 1420672211 /nfs/dbraw/zinc/67/22/11/1420672211.db2.gz JEUCKQAPSSBYMW-AWEZNQCLSA-N 1 0 345.443 3.023 10 10 EGCERO COc1ccc(C[NH2+]CC[C@@H]2CCN(C(=O)[C@H](C)C3CC3)C2)cc1C ZINC001717077891 1421101202 /nfs/dbraw/zinc/10/12/02/1421101202.db2.gz KEGLDJSKACUJKG-IAGOWNOFSA-N 1 0 344.499 3.378 10 10 EGCERO CCC[C@@H](C)C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001717638134 1421544735 /nfs/dbraw/zinc/54/47/35/1421544735.db2.gz WHUUQBSBFMHXED-ZTFGCOKTSA-N 1 0 332.488 3.424 10 10 EGCERO CCCC[NH2+][C@H](C)[C@@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001733538036 1429744245 /nfs/dbraw/zinc/74/42/45/1429744245.db2.gz JABBNXCSJNMHNH-UKRRQHHQSA-N 1 0 345.447 3.089 10 10 EGCERO COc1ccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)c2ccc(C)nc2)cc1C ZINC001725079422 1425518210 /nfs/dbraw/zinc/51/82/10/1425518210.db2.gz IPKJKVWMDCHEBC-JKSUJKDBSA-N 1 0 341.455 3.004 10 10 EGCERO COc1ccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)c2cccnc2C)cc1C ZINC001725106970 1425558196 /nfs/dbraw/zinc/55/81/96/1425558196.db2.gz BGYQCDZGTQJSMG-LSDHHAIUSA-N 1 0 341.455 3.004 10 10 EGCERO COc1ccc(C[NH2+][C@@H](C)CNC(=O)C[C@@H](C)n2cccc2)cc1C ZINC001731632374 1427685845 /nfs/dbraw/zinc/68/58/45/1427685845.db2.gz HEFBSMVNQQZEMT-DLBZAZTESA-N 1 0 343.471 3.051 10 10 EGCERO COc1ccc(C[NH2+]C2(CNC(=O)[C@@]3(C)C=CCC3)CCC2)cc1C ZINC001733721832 1429943126 /nfs/dbraw/zinc/94/31/26/1429943126.db2.gz JQKAVUAQNGSJBX-FQEVSTJZSA-N 1 0 342.483 3.488 10 10 EGCERO CC(C)[NH2+][C@@H](CCN(C)C(=O)c1ccc(N=NC(N)=O)cc1)C(C)C ZINC001734076993 1437865008 /nfs/dbraw/zinc/86/50/08/1437865008.db2.gz CNEYAMNOJHDWDC-INIZCTEOSA-N 1 0 347.463 3.334 10 10 EGCERO C[C@@H]([NH2+]Cc1cccc2c1OCO2)c1ccc(N2CCOCC2)cc1 ZINC000071831073 203123168 /nfs/dbraw/zinc/12/31/68/203123168.db2.gz DJYXVPWTQNELJF-OAHLLOKOSA-N 1 0 340.423 3.103 10 10 EGCERO Cc1ccc(O)c(C[N@H+]2CC[C@@H](CN(C)Cc3cccnc3)C2)c1 ZINC000190473154 455327365 /nfs/dbraw/zinc/32/73/65/455327365.db2.gz FCXKUHLIHZXDMF-SFHVURJKSA-N 1 0 325.456 3.050 10 10 EGCERO COc1ccc(CC[N@H+](C)CCCOc2ccc(N)cc2)cc1OC ZINC000034647047 453920101 /nfs/dbraw/zinc/92/01/01/453920101.db2.gz VBAIORXXMFEWFZ-UHFFFAOYSA-N 1 0 344.455 3.229 10 10 EGCERO COc1ccc(N2CCC([N@H+](C)CCc3ccncc3)CC2)cc1 ZINC000072801193 454342706 /nfs/dbraw/zinc/34/27/06/454342706.db2.gz PQLSIYVAABQNQP-UHFFFAOYSA-N 1 0 325.456 3.234 10 10 EGCERO COc1cc(O)c(CN(C)Cc2nc3c(s2)CCCC3)cc1OC ZINC000160349266 455449291 /nfs/dbraw/zinc/44/92/91/455449291.db2.gz MPRWTXZYBDIGTF-UHFFFAOYSA-N 1 0 348.468 3.377 10 10 EGCERO CCOc1ccc(O)c(C[N@@H+]2CC[C@@H](CNc3cccc(C)n3)C2)c1 ZINC000092813352 454640749 /nfs/dbraw/zinc/64/07/49/454640749.db2.gz PTBVDPYRBJJADF-INIZCTEOSA-N 1 0 341.455 3.428 10 10 EGCERO CCCOc1ccc(C[N@@H+]2CC[C@H](Oc3cccnc3)C2)c(O)c1 ZINC000093691499 454730734 /nfs/dbraw/zinc/73/07/34/454730734.db2.gz WOYCEAPVPHCUSE-SFHVURJKSA-N 1 0 328.412 3.229 10 10 EGCERO CN1C(=O)C[C@H]([NH2+]Cc2ccccc2O)[C@@H]1c1ccc(Cl)cc1 ZINC000125254617 454807801 /nfs/dbraw/zinc/80/78/01/454807801.db2.gz CQIASLWFZPWTKI-YJBOKZPZSA-N 1 0 330.815 3.107 10 10 EGCERO c1ncn(C[C@@H]2CCC[N@H+](Cc3ccc(N4CCCCC4)cc3)C2)n1 ZINC000128461078 455058604 /nfs/dbraw/zinc/05/86/04/455058604.db2.gz DXGBUXYHPXBCLZ-LJQANCHMSA-N 1 0 339.487 3.181 10 10 EGCERO C[C@H]([NH2+][C@@H]1CCC(=O)N(C)C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000152358824 455106796 /nfs/dbraw/zinc/10/67/96/455106796.db2.gz ZPRVVZKTVBEJQX-GOEBONIOSA-N 1 0 333.451 3.087 10 10 EGCERO Cc1cccc(C[N@@H+]2CCCN(C(=O)c3cccs3)CC2)c1O ZINC000180239617 455150888 /nfs/dbraw/zinc/15/08/88/455150888.db2.gz LMVZJWQCCIJDGI-UHFFFAOYSA-N 1 0 330.453 3.110 10 10 EGCERO C[C@@H]([NH2+][C@@H]1CCc2ncnn2C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000180594708 455204091 /nfs/dbraw/zinc/20/40/91/455204091.db2.gz ZJKQXFWDSLSHMH-GDBMZVCRSA-N 1 0 343.450 3.073 10 10 EGCERO Cc1ccc([C@H](C[NH2+][C@@H](C)c2ccccc2O)N2CCOCC2)s1 ZINC000183597572 455310599 /nfs/dbraw/zinc/31/05/99/455310599.db2.gz VJAJVWVLKQNUSK-RDJZCZTQSA-N 1 0 346.496 3.486 10 10 EGCERO CO[C@@H]1CC[C@@H]2OCC[N@H+](Cc3ccc(N4CCCCC4)cc3)[C@H]2C1 ZINC000246095001 455425468 /nfs/dbraw/zinc/42/54/68/455425468.db2.gz IWQVUTBOPSFYLT-HKBOAZHASA-N 1 0 344.499 3.445 10 10 EGCERO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)c2ccc(-n3cncn3)cc2)c1 ZINC000184884866 455467227 /nfs/dbraw/zinc/46/72/27/455467227.db2.gz YETLOGCYWVAXQZ-UONOGXRCSA-N 1 0 338.411 3.393 10 10 EGCERO CCOC(=O)c1csc(CC[NH2+][C@H](C)c2ccc(N(C)C)cc2)n1 ZINC000191560959 455496512 /nfs/dbraw/zinc/49/65/12/455496512.db2.gz CUQWCBZJNGZNKM-CYBMUJFWSA-N 1 0 347.484 3.279 10 10 EGCERO C[C@@H]([NH2+][C@H]1CCN(C(=O)C2CCCCC2)C1)c1cc(F)ccc1O ZINC000185764032 455618075 /nfs/dbraw/zinc/61/80/75/455618075.db2.gz DTSRSKNVHVOHKT-CJNGLKHVSA-N 1 0 334.435 3.363 10 10 EGCERO C[C@H]([NH2+][C@H]1c2ccccc2C[C@H]1O)c1ccc(Br)cc1O ZINC000248488022 455716887 /nfs/dbraw/zinc/71/68/87/455716887.db2.gz GNPIYFBNBZGGPY-HKJPBSJPSA-N 1 0 348.240 3.464 10 10 EGCERO CC(C)c1nnc2n1C[C@@H]([NH2+][C@H](C)c1cc(Cl)ccc1O)CC2 ZINC000186293202 455735976 /nfs/dbraw/zinc/73/59/76/455735976.db2.gz DOEOXSWPCYNDFD-YPMHNXCESA-N 1 0 334.851 3.426 10 10 EGCERO Cc1cc(Br)cc(C[NH2+][C@@H]2C[C@@H]3OCCC[C@@H]23)c1O ZINC000249242217 455746819 /nfs/dbraw/zinc/74/68/19/455746819.db2.gz WSPKQSFBGBJWTA-MJBXVCDLSA-N 1 0 326.234 3.120 10 10 EGCERO [O-]c1cc(F)c(Cl)cc1C[N@@H+]1CCSC2(CCOCC2)C1 ZINC000294804544 455828645 /nfs/dbraw/zinc/82/86/45/455828645.db2.gz WEWCYXSYIKADCS-UHFFFAOYSA-N 1 0 331.840 3.283 10 10 EGCERO Cc1cc(N2CCC[C@H]([NH2+][C@@H](C)c3cc(C)ccc3O)C2)n(C)n1 ZINC000278467391 455836540 /nfs/dbraw/zinc/83/65/40/455836540.db2.gz NHRULWKCQSEWBC-HOTGVXAUSA-N 1 0 328.460 3.062 10 10 EGCERO COc1cc(OC)c(C[C@@H](C)[NH2+]Cc2ccccc2O)c(OC)c1 ZINC000295113286 455838931 /nfs/dbraw/zinc/83/89/31/455838931.db2.gz WIUVSQONHSJONS-CYBMUJFWSA-N 1 0 331.412 3.139 10 10 EGCERO COc1ccc(O)c([C@H](C)[NH2+][C@H]2CCOC3(CCSCC3)C2)c1 ZINC000273493093 456234504 /nfs/dbraw/zinc/23/45/04/456234504.db2.gz OREVLFXUHVXSOL-KBPBESRZSA-N 1 0 337.485 3.496 10 10 EGCERO CCOc1ccc(O)c(C[NH+]2CCC(c3nccc(C)n3)CC2)c1 ZINC000368282968 458022515 /nfs/dbraw/zinc/02/25/15/458022515.db2.gz HLYLDDOEOYBEGM-UHFFFAOYSA-N 1 0 327.428 3.269 10 10 EGCERO Cc1cc(Br)cc(C[NH2+][C@]23C[C@H]2COC3(C)C)c1O ZINC000529639950 459831700 /nfs/dbraw/zinc/83/17/00/459831700.db2.gz AJUUTRTVGFOYFF-XHDPSFHLSA-N 1 0 326.234 3.120 10 10 EGCERO COc1ccc([C@H](C)[NH2+]Cc2cc(OC)c(OC)cc2O)c(OC)c1 ZINC000529652796 459832526 /nfs/dbraw/zinc/83/25/26/459832526.db2.gz PYMPLZIAPHKGHG-LBPRGKRZSA-N 1 0 347.411 3.277 10 10 EGCERO CC[N@@H+](Cc1c(O)c(C(=O)OC)cc2ccccc21)C[C@@H]1CCOC1 ZINC000738082236 576286139 /nfs/dbraw/zinc/28/61/39/576286139.db2.gz PLUFMNAARGUDNJ-AWEZNQCLSA-N 1 0 343.423 3.190 10 10 EGCERO COc1ccc(C[N@@H+]2CCCN(Cc3ccc(F)cc3)CC2)c(O)c1 ZINC000123181149 1293436509 /nfs/dbraw/zinc/43/65/09/1293436509.db2.gz NVTUOVBSNAOJFD-UHFFFAOYSA-N 1 0 344.430 3.248 10 10 EGCERO CCCCCNC(=O)C1CC[NH+](Cc2cc(C)cc(OC)c2O)CC1 ZINC000164032927 1294342501 /nfs/dbraw/zinc/34/25/01/1294342501.db2.gz AWNROSNQWBNNCJ-UHFFFAOYSA-N 1 0 348.487 3.228 10 10 EGCERO Cc1ccc(O)c(C[N@@H+]2C[C@@H]3CC[C@H](NC(=O)OC(C)(C)C)[C@@H]3C2)c1 ZINC000184241253 1295181081 /nfs/dbraw/zinc/18/10/81/1295181081.db2.gz CJXHEBTXCXOJCX-UAGQMJEPSA-N 1 0 346.471 3.436 10 10 EGCERO C[C@H](NC(=O)c1ccc2c(ccn2CCC[NH3+])c1)c1ccccc1O ZINC000870988600 1296165647 /nfs/dbraw/zinc/16/56/47/1296165647.db2.gz URVNHYIBYMFNSW-AWEZNQCLSA-N 1 0 337.423 3.187 10 10 EGCERO C[C@H]([NH2+]CCC[C@@H]1CCOC1=O)c1ccc(Br)cc1O ZINC000872114577 1296740292 /nfs/dbraw/zinc/74/02/92/1296740292.db2.gz WSFVCMUWZQKQAW-WDEREUQCSA-N 1 0 342.233 3.149 10 10 EGCERO COc1cc(O)c(C[N@@H+]2CCC[C@H](OC3CCC3)CC2)cc1OC ZINC000872262274 1296864400 /nfs/dbraw/zinc/86/44/00/1296864400.db2.gz WOOMXLZJLBASKF-INIZCTEOSA-N 1 0 335.444 3.333 10 10 EGCERO COC(=O)c1cc(C[NH2+]Cc2ccc3c(c2)CCO3)[nH]c1C(C)C ZINC000894214699 1306282915 /nfs/dbraw/zinc/28/29/15/1306282915.db2.gz ZUFDYKNFQQCAFO-UHFFFAOYSA-N 1 0 328.412 3.149 10 10 EGCERO COC(=O)c1c(C[N@H+]2CCC[C@@H](OC)CC2)c2cc(F)ccc2n1C ZINC000894441797 1308889337 /nfs/dbraw/zinc/88/93/37/1308889337.db2.gz RFJRATYHPNGBIG-CQSZACIVSA-N 1 0 348.418 3.105 10 10 EGCERO COc1cc(C)cc(C[N@H+](C)C2CCN(CC(F)(F)F)CC2)c1O ZINC000894949092 1309133153 /nfs/dbraw/zinc/13/31/53/1309133153.db2.gz UNECSEGYSDUYIL-UHFFFAOYSA-N 1 0 346.393 3.168 10 10 EGCERO COC(=O)c1c(C[NH2+]C[C@@H]2C[C@@H](C)O[C@H]2C)c2cc(F)ccc2n1C ZINC000894992643 1309147241 /nfs/dbraw/zinc/14/72/41/1309147241.db2.gz PHBPWXTZVHIMLA-AGIUHOORSA-N 1 0 348.418 3.007 10 10 EGCERO COC(=O)c1c(C[NH2+]CC[C@H]2CCCOC2)c2cc(F)ccc2n1C ZINC000895390426 1309313975 /nfs/dbraw/zinc/31/39/75/1309313975.db2.gz TZUKZBPDRGEGPR-CYBMUJFWSA-N 1 0 348.418 3.010 10 10 EGCERO Oc1cc(Br)ccc1C[NH2+][C@@]1(c2ccccc2)C[C@@H](O)C1 ZINC000895511857 1309380989 /nfs/dbraw/zinc/38/09/89/1309380989.db2.gz DMGAMGRQPLOOJN-WOVMCDHWSA-N 1 0 348.240 3.295 10 10 EGCERO Oc1ccc(F)cc1CNc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000895647454 1309446808 /nfs/dbraw/zinc/44/68/08/1309446808.db2.gz OBIXQXGMWMYICR-LJQANCHMSA-N 1 0 341.430 3.428 10 10 EGCERO C[C@@H]1C[C@@]2(CC[C@@H](C[NH2+]Cc3ccc4ccccc4c3O)O2)CO1 ZINC000895818073 1309533295 /nfs/dbraw/zinc/53/32/95/1309533295.db2.gz BLJZGUVDDIXFOE-LIVBEALHSA-N 1 0 327.424 3.362 10 10 EGCERO Oc1ccc(Br)cc1C[NH2+]CC1(C2(O)CCC2)CCC1 ZINC000895870692 1309573116 /nfs/dbraw/zinc/57/31/16/1309573116.db2.gz SJINQBIDFUHSPP-UHFFFAOYSA-N 1 0 340.261 3.330 10 10 EGCERO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000896694342 1309976095 /nfs/dbraw/zinc/97/60/95/1309976095.db2.gz XLGPCTCCFYCRFO-CYBMUJFWSA-N 1 0 348.468 3.259 10 10 EGCERO CN(C)c1cc(F)c(C[NH2+]CCC[C@@H]2CCCC[C@H]2O)cc1F ZINC000858150615 1328697643 /nfs/dbraw/zinc/69/76/43/1328697643.db2.gz CHAVJAHGHLXLJH-SCLBCKFNSA-N 1 0 326.431 3.452 10 10 EGCERO Oc1cccc(Br)c1C[NH2+]CC1(CF)CCOCC1 ZINC000858172522 1328702511 /nfs/dbraw/zinc/70/25/11/1328702511.db2.gz AJBKSBLEPGOCIM-UHFFFAOYSA-N 1 0 332.213 3.011 10 10 EGCERO CN(C)c1cc(F)c(C[NH2+][C@@H]2CCC[C@H]2Cc2cnn(C)c2)cc1F ZINC000858193630 1328708140 /nfs/dbraw/zinc/70/81/40/1328708140.db2.gz YWCPFGLGECTOKJ-KBXCAEBGSA-N 1 0 348.441 3.265 10 10 EGCERO CN(C)c1ccc(/C=C/C[NH2+]C[C@H](n2cccn2)C(F)(F)F)cc1 ZINC000858208551 1328712143 /nfs/dbraw/zinc/71/21/43/1328712143.db2.gz IBWGKGRLJKSUHK-WMHVBEDNSA-N 1 0 338.377 3.356 10 10 EGCERO Cc1noc([C@H]2OCC[C@H]2[NH2+][C@H](C)c2cc(Cl)cc(C)c2O)n1 ZINC000858590089 1328802455 /nfs/dbraw/zinc/80/24/55/1328802455.db2.gz JGVQKXDBCKPCFZ-PKPZWWHKSA-N 1 0 337.807 3.226 10 10 EGCERO CC[C@H]([NH2+][C@@H]1CCO[C@@H]1c1nc(C)no1)c1cc(Cl)ccc1O ZINC000858591852 1328803891 /nfs/dbraw/zinc/80/38/91/1328803891.db2.gz LUTNQSBMMPUVJY-GUTXKFCHSA-N 1 0 337.807 3.308 10 10 EGCERO COc1cc(C[NH2+]CCc2cc(C)n(C)n2)c(O)c(C(C)(C)C)c1 ZINC000922685277 1322590446 /nfs/dbraw/zinc/59/04/46/1322590446.db2.gz GOYKCJLGKXURFM-UHFFFAOYSA-N 1 0 331.460 3.073 10 10 EGCERO COc1ccc(C[NH2+][C@H]2CCS[C@H](C)C2)cc1Cn1cccn1 ZINC000922834972 1322629498 /nfs/dbraw/zinc/62/94/98/1322629498.db2.gz WUWVYPBFYDJKGE-PBHICJAKSA-N 1 0 331.485 3.314 10 10 EGCERO CCCOc1ccc(C[NH2+]C[C@H]2CCN2C2CCOCC2)cc1C ZINC000922956454 1322661370 /nfs/dbraw/zinc/66/13/70/1322661370.db2.gz SGILIXFSHFJJGD-LJQANCHMSA-N 1 0 332.488 3.127 10 10 EGCERO CC1CCN(c2ccc(C[NH2+][C@@H]3CCOC34CCOCC4)cc2)CC1 ZINC000925010944 1323243957 /nfs/dbraw/zinc/24/39/57/1323243957.db2.gz IUZRWSCDQYGJPT-HXUWFJFHSA-N 1 0 344.499 3.351 10 10 EGCERO C[C@@H](NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)c1ncco1 ZINC000925677939 1325259162 /nfs/dbraw/zinc/25/91/62/1325259162.db2.gz RJJMCJYVVJNJIV-MRXNPFEDSA-N 1 0 340.471 3.057 10 10 EGCERO C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCC1(F)F)c1cccc(C(F)(F)F)c1[O-] ZINC000925775286 1325295875 /nfs/dbraw/zinc/29/58/75/1325295875.db2.gz FKODTZAIMSVBDU-ZJUUUORDSA-N 1 0 338.320 3.306 10 10 EGCERO CCn1nc(C)c([C@H](C)[NH2+][C@@H](C)Cc2ccc(N(C)C)cc2C)n1 ZINC000926597338 1327629591 /nfs/dbraw/zinc/62/95/91/1327629591.db2.gz WREIJGKHGBLAIK-GJZGRUSLSA-N 1 0 329.492 3.263 10 10 EGCERO CC[C@H](C[C@@](C)(O)CC)[NH2+]C[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000926611116 1327634346 /nfs/dbraw/zinc/63/43/46/1327634346.db2.gz IFOAWRUDSKKGOW-HLIPFELVSA-N 1 0 334.504 3.441 10 10 EGCERO COc1ccc(N2CC[C@@H]([NH2+][C@H](C)c3cc(OC)ccn3)C2)cc1 ZINC000926680234 1327663254 /nfs/dbraw/zinc/66/32/54/1327663254.db2.gz LBCZKFMDFQILGI-HUUCEWRRSA-N 1 0 327.428 3.028 10 10 EGCERO C[C@H]([NH2+]C[C@H]1C[C@@H]2COC[C@@H]2O1)c1ccc(N2CCCCC2)c(F)c1 ZINC000926945254 1327789643 /nfs/dbraw/zinc/78/96/43/1327789643.db2.gz NCFJPDHVKXEASK-MCNSXXNHSA-N 1 0 348.462 3.271 10 10 EGCERO CCN(C)c1ccc([C@@H](C)[NH2+]C[C@H]2CCN2C2CCOCC2)cc1 ZINC000927105188 1327866543 /nfs/dbraw/zinc/86/65/43/1327866543.db2.gz CWRUEAQMKVXUKU-OXQOHEQNSA-N 1 0 331.504 3.047 10 10 EGCERO COC(=O)c1ccc(C[NH2+]Cc2cc(F)c(N(C)C)cc2F)cc1 ZINC000862367181 1329478362 /nfs/dbraw/zinc/47/83/62/1329478362.db2.gz YNZBRSVRJIHBJH-UHFFFAOYSA-N 1 0 334.366 3.107 10 10 EGCERO CN1CCC[C@H]1C[NH2+]Cc1ccc(OCc2ccccc2)cc1O ZINC000862536608 1329493787 /nfs/dbraw/zinc/49/37/87/1329493787.db2.gz QCLSLMBSXOZUIP-SFHVURJKSA-N 1 0 326.440 3.155 10 10 EGCERO Cc1cc(O)c(CNc2cnn(C3CC[NH+](C)CC3)c2)c(Cl)c1 ZINC000865702155 1329730853 /nfs/dbraw/zinc/73/08/53/1329730853.db2.gz AJBDHUPDKOFJLM-UHFFFAOYSA-N 1 0 334.851 3.429 10 10 EGCERO Oc1cccc(Br)c1C[NH2+]C[C@H]1CCC12CCOCC2 ZINC000865777283 1329737418 /nfs/dbraw/zinc/73/74/18/1329737418.db2.gz WEIJXONLCJNIBQ-GFCCVEGCSA-N 1 0 340.261 3.451 10 10 EGCERO C[C@H]([NH2+][C@H]1C[C@@H](C)O[C@@H]1C)c1ccc(N2CCOCC2)cc1Cl ZINC000866443401 1330113242 /nfs/dbraw/zinc/11/32/42/1330113242.db2.gz LTTDEGOVKBLOMB-NPSOMJIGSA-N 1 0 338.879 3.393 10 10 EGCERO CCOC(=O)c1cc(C[NH2+][C@H](CC)c2cc(Cl)ccc2O)on1 ZINC000866515303 1330120631 /nfs/dbraw/zinc/12/06/31/1330120631.db2.gz GNXDCZAVFWXQHV-CYBMUJFWSA-N 1 0 338.791 3.451 10 10 EGCERO Cc1ccc([C@H](CNC(=O)N[C@@H](C)c2ccccc2O)[NH+](C)C)cc1 ZINC000868212682 1330262553 /nfs/dbraw/zinc/26/25/53/1330262553.db2.gz ADQXAFXEIKXNGJ-YJBOKZPZSA-N 1 0 341.455 3.364 10 10 EGCERO COc1ccc(C[NH2+]C[C@H](NC(=O)[C@@H]2CC23CCC3)C2CC2)cc1C ZINC001323078499 1387284248 /nfs/dbraw/zinc/28/42/48/1387284248.db2.gz TVSIVHXIZSDKSA-ROUUACIJSA-N 1 0 342.483 3.178 10 10 EGCERO COc1ccc(C[NH2+]C2(CNC(=O)[C@@]3(C)CC=CCC3)CC2)cc1C ZINC001323441158 1387370161 /nfs/dbraw/zinc/37/01/61/1387370161.db2.gz FTAZGELTZXKKFC-FQEVSTJZSA-N 1 0 342.483 3.488 10 10 EGCERO O=C1C[C@@H](c2ccccc2)[N@H+](Cc2ccc(N3CCCC3)cc2)CCN1 ZINC001116440077 1370910994 /nfs/dbraw/zinc/91/09/94/1370910994.db2.gz KEIRYOPGQWWGMJ-NRFANRHFSA-N 1 0 349.478 3.350 10 10 EGCERO C[C@@H]1CCC[C@@]1(C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001134881804 1376765113 /nfs/dbraw/zinc/76/51/13/1376765113.db2.gz HUYFBLQIYAHXGX-XFQXTVEOSA-N 1 0 331.504 3.298 10 10 EGCERO COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)C[C@@H](C)SC)cc1C ZINC001283596808 1379042746 /nfs/dbraw/zinc/04/27/46/1379042746.db2.gz ACXKRSLHWZRSNN-LSDHHAIUSA-N 1 0 338.517 3.082 10 10 EGCERO COc1ccc(C[NH2+][C@@H](C)CCNC(=O)[C@]23C[C@H]2CCC3)cc1C ZINC001328375786 1388732091 /nfs/dbraw/zinc/73/20/91/1388732091.db2.gz BZOJUTFAGSCJOC-XAUMDUMWSA-N 1 0 330.472 3.178 10 10 EGCERO C[C@@H]1CN(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)[C@@H](C)[C@H]1C ZINC001313410841 1384416518 /nfs/dbraw/zinc/41/65/18/1384416518.db2.gz FWWSXWQITBRYRQ-PASDCYSWSA-N 1 0 346.519 3.041 10 10 EGCERO CCC1(C(=O)NC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C2CC2)CC1 ZINC001317023646 1384789583 /nfs/dbraw/zinc/78/95/83/1384789583.db2.gz RLIIEVLJXDAZJZ-KRWDZBQOSA-N 1 0 330.472 3.178 10 10 EGCERO C/C=C(/C)C(=O)N[C@](C)(C[NH2+]Cc1ccc(OC)c(C)c1)C1CC1 ZINC001698642340 1406290421 /nfs/dbraw/zinc/29/04/21/1406290421.db2.gz MGWJVGCELZDJLF-DEZZYPQESA-N 1 0 330.472 3.344 10 10 EGCERO COc1ccc(C[NH2+][C@@H](CNC(=O)[C@H]2CC2(C)C)C(C)C)cc1C ZINC001319902833 1386377950 /nfs/dbraw/zinc/37/79/50/1386377950.db2.gz DIXDGRAVDAVHIZ-SJORKVTESA-N 1 0 332.488 3.280 10 10 EGCERO COc1ccc(C[NH2+]C[C@H](C)NC(=O)c2ccc(C)cc2)cc1C ZINC001322054436 1387041135 /nfs/dbraw/zinc/04/11/35/1387041135.db2.gz MVVQKXHUZMRSMN-INIZCTEOSA-N 1 0 326.440 3.220 10 10 EGCERO FC(F)(F)[C@H](C[NH2+]Cc1ccc(N2CCCC2)cc1)n1cccn1 ZINC001331676101 1389853424 /nfs/dbraw/zinc/85/34/24/1389853424.db2.gz MYEHEJMQCPNKCI-INIZCTEOSA-N 1 0 338.377 3.377 10 10 EGCERO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]CCN1C[C@H]2CCCCN2C1=O ZINC001333327615 1390284677 /nfs/dbraw/zinc/28/46/77/1390284677.db2.gz NYWBJRDCYMJBAL-BZUAXINKSA-N 1 0 343.471 3.129 10 10 EGCERO Fc1ccc(N2CC[NH+](Cc3ccc(N4CCCC4)cc3)CC2)nc1 ZINC001347220636 1391030559 /nfs/dbraw/zinc/03/05/59/1391030559.db2.gz FGRNXDSPNBDNJW-UHFFFAOYSA-N 1 0 340.446 3.143 10 10 EGCERO COc1ccc(C[NH2+][C@H]2C[C@H](CNC(=O)C3(CF)CCC3)C2)cc1C ZINC001479400162 1392234054 /nfs/dbraw/zinc/23/40/54/1392234054.db2.gz PNNNDSUNKSCYQJ-QAQDUYKDSA-N 1 0 348.462 3.128 10 10 EGCERO CC[C@H](CNC(=O)c1ccc(C)o1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001481786026 1394529737 /nfs/dbraw/zinc/52/97/37/1394529737.db2.gz FJKDXBRQPHMFJV-MRXNPFEDSA-N 1 0 330.428 3.203 10 10 EGCERO COc1ccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)c2ccncc2C)cc1C ZINC001485148587 1395668561 /nfs/dbraw/zinc/66/85/61/1395668561.db2.gz UVPRNMFAVWEISC-HZPDHXFCSA-N 1 0 341.455 3.004 10 10 EGCERO COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)c2cc(C)co2)cc1C ZINC001725503515 1426185212 /nfs/dbraw/zinc/18/52/12/1426185212.db2.gz KEKPBFOWQBSTNX-HNNXBMFYSA-N 1 0 330.428 3.155 10 10 EGCERO CCCCC[NH2+][C@H]1C[C@H](CNC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001691189784 1405128497 /nfs/dbraw/zinc/12/84/97/1405128497.db2.gz NMJJWPYQAIVMSK-SAZUREKKSA-N 1 0 345.447 3.137 10 10 EGCERO CC(C)C[NH2+]C1(C)CCN(C(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC001700287093 1413734553 /nfs/dbraw/zinc/73/45/53/1413734553.db2.gz FNLSBINXKUGWMS-UHFFFAOYSA-N 1 0 345.447 3.089 10 10 EGCERO COc1ccc(C[NH2+][C@H](C)[C@H](C)NC(=O)CCC(F)F)cc1C ZINC001700407689 1413945461 /nfs/dbraw/zinc/94/54/61/1413945461.db2.gz GBFKCTVEUBJGRB-OLZOCXBDSA-N 1 0 328.403 3.032 10 10 EGCERO COc1ccc(C[NH2+]CCC[C@H](C)NC(=O)c2ccco2)cc1C ZINC001700663337 1414322764 /nfs/dbraw/zinc/32/27/64/1414322764.db2.gz PFNPYPRTHHCELY-HNNXBMFYSA-N 1 0 330.428 3.285 10 10 EGCERO COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)c2cc(C)c(C)o2)cc1C ZINC001700745860 1414414097 /nfs/dbraw/zinc/41/40/97/1414414097.db2.gz OKRJSVDMBASKPM-HNNXBMFYSA-N 1 0 344.455 3.464 10 10 EGCERO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)cc1C ZINC001732954775 1429078180 /nfs/dbraw/zinc/07/81/80/1429078180.db2.gz XFXWWBJBDHVYKN-NWGLXNPWSA-N 1 0 330.472 3.034 10 10 EGCERO COc1ccc(C[NH2+]C[C@H](C)NC(=O)[C@H]2CCCC23CC3)cc1C ZINC001733001908 1429123524 /nfs/dbraw/zinc/12/35/24/1429123524.db2.gz NIFZIYPQMLSWOL-DOTOQJQBSA-N 1 0 330.472 3.178 10 10 EGCERO CCCc1[nH]ccc1C(=O)NC[C@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001713333232 1417957008 /nfs/dbraw/zinc/95/70/08/1417957008.db2.gz UPCVTTLXBFWOBO-HNNXBMFYSA-N 1 0 343.471 3.192 10 10 EGCERO COc1ccc(C[NH2+][C@@H](CNC(=O)C2(C)CCC2)C2CC2)cc1C ZINC001713872343 1418668913 /nfs/dbraw/zinc/66/89/13/1418668913.db2.gz PMVPQTQDHATGHU-KRWDZBQOSA-N 1 0 330.472 3.178 10 10 EGCERO COc1ccc(C[NH2+][C@@H](CNC(=O)[C@H]2CC23CCC3)C2CC2)cc1C ZINC001713876434 1418672973 /nfs/dbraw/zinc/67/29/73/1418672973.db2.gz HOQJPRPVHLMYDN-MSOLQXFVSA-N 1 0 342.483 3.178 10 10 EGCERO COc1ccc(C[NH2+]C[C@H](C)CNC(=O)c2c(C)coc2C)cc1C ZINC001715225170 1419958478 /nfs/dbraw/zinc/95/84/78/1419958478.db2.gz JAOYSUQTUCULLQ-ZDUSSCGKSA-N 1 0 344.455 3.369 10 10 EGCERO COc1ccc(C[NH2+]CC[C@H](C)NC(=O)c2ccc(C)o2)cc1C ZINC001715622815 1420269188 /nfs/dbraw/zinc/26/91/88/1420269188.db2.gz OQKZSMANFYCUBH-AWEZNQCLSA-N 1 0 330.428 3.203 10 10 EGCERO CCN(CC[NH2+]Cc1ccc(OC)c(C)c1)C(=O)[C@@H]1CCC[C@H]2C[C@H]21 ZINC001715744151 1420321511 /nfs/dbraw/zinc/32/15/11/1420321511.db2.gz GHXGQYPGBJNYRA-IPMKNSEASA-N 1 0 344.499 3.378 10 10 EGCERO COc1ccc(C[NH2+]C/C=C/CNC(=O)[C@@H]2CC[C@H](C)C2)cc1C ZINC001715876254 1420379727 /nfs/dbraw/zinc/37/97/27/1420379727.db2.gz IGYVGYGCVVVJRO-PUBSZHEZSA-N 1 0 330.472 3.202 10 10 EGCERO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)C[C@@H](C)C(F)(F)F)cc1C ZINC001716410869 1420641004 /nfs/dbraw/zinc/64/10/04/1420641004.db2.gz MSDCZYQSPSGLIX-CHWSQXEVSA-N 1 0 346.393 3.186 10 10 EGCERO COc1ccc(C[NH2+]CC[C@H]2CCN(C(=O)c3ccoc3)C2)cc1C ZINC001717069806 1421098613 /nfs/dbraw/zinc/09/86/13/1421098613.db2.gz FNOIACNRZJLVAB-INIZCTEOSA-N 1 0 342.439 3.239 10 10 EGCERO COc1ccc(C[NH2+]C2(CNC(=O)[C@@H]3C[C@H]3C(C)(C)C)CC2)cc1C ZINC001723538383 1424456242 /nfs/dbraw/zinc/45/62/42/1424456242.db2.gz SAOAXUMYBQXGMY-IAGOWNOFSA-N 1 0 344.499 3.424 10 10 EGCERO COc1ccc(C[NH2+][C@H](C)[C@H](C)NC(=O)c2cc(Cl)c[nH]2)cc1C ZINC001725078366 1425517092 /nfs/dbraw/zinc/51/70/92/1425517092.db2.gz FEQXKKHXEXMNNW-OLZOCXBDSA-N 1 0 349.862 3.282 10 10 EGCERO COc1ccc(C[NH2+]CC2(NC(=O)C3CC3)CCCCC2)cc1C ZINC001725218619 1425786671 /nfs/dbraw/zinc/78/66/71/1425786671.db2.gz RMZZASICUYGXHZ-UHFFFAOYSA-N 1 0 330.472 3.322 10 10 EGCERO CCC[C@@H]1C[C@H]1C(=O)N(C)C[C@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001725508436 1426193827 /nfs/dbraw/zinc/19/38/27/1426193827.db2.gz SOVVSOPJGAEBMD-CGTJXYLNSA-N 1 0 332.488 3.376 10 10 EGCERO CCCC[N@H+](C)[C@H]1CCCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001731719584 1427787143 /nfs/dbraw/zinc/78/71/43/1427787143.db2.gz KWMMVRZFBBDERQ-INIZCTEOSA-N 1 0 345.447 3.186 10 10 EGCERO CC(C)CCC[N@H+](C)[C@H](C)CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001734064154 1437859242 /nfs/dbraw/zinc/85/92/42/1437859242.db2.gz AKORLZNQQNAVRP-CQSZACIVSA-N 1 0 347.463 3.335 10 10 EGCERO COc1ccc(C[NH2+]C[C@@H](C2CC2)N(C)C(=O)C2(C)CC2)cc1C ZINC001734300451 1438031893 /nfs/dbraw/zinc/03/18/93/1438031893.db2.gz JGGHODVDTLCWKT-KRWDZBQOSA-N 1 0 330.472 3.130 10 10 EGCERO COc1ccc(N2CCC[N@H+](Cc3cnn(CC(C)C)c3)CC2)cc1 ZINC000183157794 455241260 /nfs/dbraw/zinc/24/12/60/455241260.db2.gz UKVMLPYVSITVEQ-UHFFFAOYSA-N 1 0 342.487 3.260 10 10 EGCERO CC[C@H]([NH2+][C@H]1CCCN(c2cccnn2)C1)c1ccc(N(C)C)cc1 ZINC000089732789 454186345 /nfs/dbraw/zinc/18/63/45/454186345.db2.gz XDQYHYRKIOBVQB-HKUYNNGSSA-N 1 0 339.487 3.252 10 10 EGCERO Cc1ccc(C[N@@H+](C)Cc2cc(=O)oc3cc(O)c(O)cc23)c(C)c1 ZINC000095385609 454199674 /nfs/dbraw/zinc/19/96/74/454199674.db2.gz ZBTSULZGINGVHN-UHFFFAOYSA-N 1 0 339.391 3.453 10 10 EGCERO COc1cc(Cl)cc(C[N@H+](C)CCc2ncc(C)s2)c1O ZINC000184700527 455431413 /nfs/dbraw/zinc/43/14/13/455431413.db2.gz CYWBJPKVGNEFQB-UHFFFAOYSA-N 1 0 326.849 3.494 10 10 EGCERO COc1cccc(C[N@@H+]2CCC[C@H](C(=O)Nc3ccccc3)C2)c1O ZINC000122878001 454577582 /nfs/dbraw/zinc/57/75/82/454577582.db2.gz YNWISGHNDRKVKP-INIZCTEOSA-N 1 0 340.423 3.252 10 10 EGCERO C[C@@H](C[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1)N1CCOCC1 ZINC000123493263 454644139 /nfs/dbraw/zinc/64/41/39/454644139.db2.gz HMSRHVYWSDHCMN-ROUUACIJSA-N 1 0 331.504 3.048 10 10 EGCERO COc1cccc(C[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCO3)c1O ZINC000093048797 454675074 /nfs/dbraw/zinc/67/50/74/454675074.db2.gz GKRBOZRGBQMIRW-HNNXBMFYSA-N 1 0 327.380 3.467 10 10 EGCERO C[C@@H]([NH2+]CCc1ccccc1O)c1ccc(N2CCOCC2)c(F)c1 ZINC000155009716 454953623 /nfs/dbraw/zinc/95/36/23/454953623.db2.gz CLESKWHEAMPJEY-OAHLLOKOSA-N 1 0 344.430 3.261 10 10 EGCERO C[C@@H]([NH2+][C@H]1CCC(=O)N(C)C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000152359204 455106826 /nfs/dbraw/zinc/10/68/26/455106826.db2.gz ZPRVVZKTVBEJQX-ZBFHGGJFSA-N 1 0 333.451 3.087 10 10 EGCERO Cc1ncsc1CN(C)C[C@@H]1CC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000190469094 455326089 /nfs/dbraw/zinc/32/60/89/455326089.db2.gz XSCUARTWPFVXHJ-AWEZNQCLSA-N 1 0 349.475 3.250 10 10 EGCERO COc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCCn3nc(C(C)C)nc32)c1 ZINC000185684053 455595385 /nfs/dbraw/zinc/59/53/85/455595385.db2.gz JPVINRKVQPKXTB-DOMZBBRYSA-N 1 0 330.432 3.301 10 10 EGCERO CN(C)c1ccc(C[NH2+]Cc2ccnc(OC(F)F)c2)cc1F ZINC000283994858 455621810 /nfs/dbraw/zinc/62/18/10/455621810.db2.gz MEPFYMBPHODMQO-UHFFFAOYSA-N 1 0 325.334 3.178 10 10 EGCERO COc1ccc(O)c([C@H](C)[NH2+]CC[C@@H](C)NC(=O)OC(C)(C)C)c1 ZINC000185979808 455667872 /nfs/dbraw/zinc/66/78/72/455667872.db2.gz KPCKOUMHRHVABJ-OLZOCXBDSA-N 1 0 338.448 3.355 10 10 EGCERO Cn1nccc1[C@H]1OCC[C@@H]1[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000284691813 455727089 /nfs/dbraw/zinc/72/70/89/455727089.db2.gz JCJLJIDHGVWPCM-ICSRJNTNSA-N 1 0 340.471 3.030 10 10 EGCERO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc3c(c2)CCCN3C)C12CCOCC2 ZINC000186297965 455736752 /nfs/dbraw/zinc/73/67/52/455736752.db2.gz URWLIYHBIWBSDP-VQTJNVASSA-N 1 0 344.499 3.133 10 10 EGCERO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](Cc3ccccc3O)CC[C@H]21 ZINC000292781243 455756525 /nfs/dbraw/zinc/75/65/25/455756525.db2.gz LLBCSRJJSHODDU-GDBMZVCRSA-N 1 0 332.444 3.224 10 10 EGCERO CN(C)c1ccc(C[NH2+][C@@H](CO)c2cccc(Br)c2)cc1 ZINC000271817738 455772093 /nfs/dbraw/zinc/77/20/93/455772093.db2.gz MIGSHWREDMTATB-KRWDZBQOSA-N 1 0 349.272 3.338 10 10 EGCERO COc1cc(Cl)cc(C[NH2+]Cc2ccnc(OC(F)F)c2)c1O ZINC000285204619 455804127 /nfs/dbraw/zinc/80/41/27/455804127.db2.gz QZQHLLVSOJFUDU-UHFFFAOYSA-N 1 0 344.745 3.340 10 10 EGCERO CCC[C@]1([NH2+]Cc2ccc(N3CCC(OC)CC3)cc2)CCOC1 ZINC000294904651 455832126 /nfs/dbraw/zinc/83/21/26/455832126.db2.gz AWANWGHBSGGIPH-FQEVSTJZSA-N 1 0 332.488 3.351 10 10 EGCERO COC1CCN(c2ccc(C[N@H+](C)[C@H]3CCN(C)[C@H](C)C3)cc2)CC1 ZINC000295118272 455840114 /nfs/dbraw/zinc/84/01/14/455840114.db2.gz WJQHMBXHSIVBRV-XLIONFOSSA-N 1 0 345.531 3.216 10 10 EGCERO COc1cc(OC)c(C[NH2+][C@H]2CCc3cccc(O)c32)c(OC)c1 ZINC000296126326 455869702 /nfs/dbraw/zinc/86/97/02/455869702.db2.gz VOGASMPIYDFPJT-HNNXBMFYSA-N 1 0 329.396 3.195 10 10 EGCERO CCOc1cccc(C[N@H+](C)Cc2cc(OC)cc(OC)c2)c1O ZINC000271082348 456120964 /nfs/dbraw/zinc/12/09/64/456120964.db2.gz XBUGTISWKMCIHW-UHFFFAOYSA-N 1 0 331.412 3.440 10 10 EGCERO Cc1cccc2c1OCC[C@H]2[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000188880733 456159215 /nfs/dbraw/zinc/15/92/15/456159215.db2.gz RFAFNGDTRRXACU-HXUWFJFHSA-N 1 0 338.451 3.445 10 10 EGCERO CCN(CC)c1ccc(C[NH2+]C[C@H]2CCC3(CCOCC3)[C@@H]2O)cc1 ZINC000282913771 456663458 /nfs/dbraw/zinc/66/34/58/456663458.db2.gz VHYHGAGKPFKWOT-UYAOXDASSA-N 1 0 346.515 3.190 10 10 EGCERO C[C@H]([NH2+][C@H]1CCC(=O)NC12CCC2)c1cc2c(cc1O)CCCC2 ZINC000282968508 456677085 /nfs/dbraw/zinc/67/70/85/456677085.db2.gz CZKIZTIYJIWURX-UGSOOPFHSA-N 1 0 328.456 3.123 10 10 EGCERO Cc1ccc([C@H](C)[NH2+]C[C@H]2CCC3(CCOCC3)[C@H]2O)c(O)c1C ZINC000283370711 456767822 /nfs/dbraw/zinc/76/78/22/456767822.db2.gz NXWZPZDNTWYHGA-FCEWJHQRSA-N 1 0 333.472 3.227 10 10 EGCERO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N(C)CC(F)F)C1 ZINC000435854459 458213470 /nfs/dbraw/zinc/21/34/70/458213470.db2.gz GWSQCVIRMDMPHZ-UHFFFAOYSA-N 1 0 349.425 3.131 10 10 EGCERO Oc1cc2c(cc1C[NH2+][C@@H]1[C@@H]3Cc4cc(Cl)ccc4[C@@H]31)OCO2 ZINC000527750305 459723651 /nfs/dbraw/zinc/72/36/51/459723651.db2.gz VGXKOJLABSMJJV-JEBQAFNWSA-N 1 0 329.783 3.202 10 10 EGCERO CC[C@H]([NH2+]Cc1cnn(CC)n1)c1cc(Br)ccc1O ZINC000527921947 459772441 /nfs/dbraw/zinc/77/24/41/459772441.db2.gz ALXNLMSHLZAPQP-ZDUSSCGKSA-N 1 0 339.237 3.007 10 10 EGCERO CC(C)(C)[C@@H]1CN(C(=O)c2cn[nH]c2[C@@H]2CC[NH2+]C2)c2ccccc21 ZINC000662545339 461291315 /nfs/dbraw/zinc/29/13/15/461291315.db2.gz OVTSATHNPCJGLE-CZUORRHYSA-N 1 0 338.455 3.277 10 10 EGCERO Oc1cc2c(cc1C[N@@H+]1CCC[C@@H]1c1ccc3c(c1)OCO3)OCO2 ZINC000728285714 574735796 /nfs/dbraw/zinc/73/57/96/574735796.db2.gz LWCUAMUZRZQEQI-CQSZACIVSA-N 1 0 341.363 3.187 10 10 EGCERO COc1ccc2ccc(O)c(C[N@H+](C)[C@H]3CCN(C4CC4)C3)c2c1 ZINC000732188748 575243015 /nfs/dbraw/zinc/24/30/15/575243015.db2.gz KVCWHVHVIJFVSK-INIZCTEOSA-N 1 0 326.440 3.223 10 10 EGCERO COC(=O)[C@H]1CCC[N@H+](Cc2cc(OC)cc(C(C)(C)C)c2O)C1 ZINC000164352350 1294347439 /nfs/dbraw/zinc/34/74/39/1294347439.db2.gz GDCXMWYYDQNJLQ-ZDUSSCGKSA-N 1 0 335.444 3.083 10 10 EGCERO C[C@@H]([NH2+]C[C@H]1CC(C)(C)CO1)c1ccc(N2CCOCC2)c(F)c1 ZINC000872108190 1296733614 /nfs/dbraw/zinc/73/36/14/1296733614.db2.gz XKGFDMHZMGRFNZ-GDBMZVCRSA-N 1 0 336.451 3.128 10 10 EGCERO Cc1cc(C)c([C@H](C)[NH2+]CC2C[C@H]3CC[C@@H](C2)S3(=O)=O)c(O)c1 ZINC000872118475 1296743836 /nfs/dbraw/zinc/74/38/36/1296743836.db2.gz AKCLNSQUFBQDIE-HNSVSWJLSA-N 1 0 337.485 3.015 10 10 EGCERO Cc1nccnc1[C@H](C)[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000872135863 1296760684 /nfs/dbraw/zinc/76/06/84/1296760684.db2.gz YHOFOGJLLRWALL-HIFRSBDPSA-N 1 0 344.434 3.173 10 10 EGCERO CCc1cnc(N2CC[NH+](Cc3cc(C)cc(OC)c3O)CC2)s1 ZINC000894019793 1306177233 /nfs/dbraw/zinc/17/72/33/1306177233.db2.gz DNKDWPXVAURZSR-UHFFFAOYSA-N 1 0 347.484 3.050 10 10 EGCERO COCCCCC[NH2+]Cc1c2cc(F)ccc2n(C)c1C(=O)OC ZINC000894210337 1306280014 /nfs/dbraw/zinc/28/00/14/1306280014.db2.gz DZVHCPNJYVZHBH-UHFFFAOYSA-N 1 0 336.407 3.010 10 10 EGCERO COC(=O)c1c(C[NH2+]C2CCSCC2)c2cc(F)ccc2n1C ZINC000894244932 1306300489 /nfs/dbraw/zinc/30/04/89/1306300489.db2.gz NOZFBDRTAIXYQH-UHFFFAOYSA-N 1 0 336.432 3.089 10 10 EGCERO COC(=O)c1c(C[NH2+]C[C@@H]2C[C@H](C)O[C@H]2C)c2cc(F)ccc2n1C ZINC000894992649 1309148008 /nfs/dbraw/zinc/14/80/08/1309148008.db2.gz PHBPWXTZVHIMLA-AVGNSLFASA-N 1 0 348.418 3.007 10 10 EGCERO CC1(C)CC(NC(=O)c2cc3cc(O)c(O)cc3s2)CC(C)(C)[NH2+]1 ZINC000895541026 1309392220 /nfs/dbraw/zinc/39/22/20/1309392220.db2.gz JKTKTIZHLRDQBN-UHFFFAOYSA-N 1 0 348.468 3.352 10 10 EGCERO OC1CCN(c2ccc(C[N@@H+]3CC[C@@H](c4nccs4)C3)cc2)CC1 ZINC000895580631 1309413017 /nfs/dbraw/zinc/41/30/17/1309413017.db2.gz CMSXJSDVDSEIJU-MRXNPFEDSA-N 1 0 343.496 3.094 10 10 EGCERO Cc1ccc(/C=C\C(=O)N2C[C@H]([NH+](C)C)CCc3ccccc32)cn1 ZINC000857925651 1328627284 /nfs/dbraw/zinc/62/72/84/1328627284.db2.gz ALHRINKLPSICRI-QTJNJRLBSA-N 1 0 335.451 3.313 10 10 EGCERO Cc1ncccc1/C=C\C(=O)N1C[C@H]([NH+](C)C)CCc2ccccc21 ZINC000857927195 1328628373 /nfs/dbraw/zinc/62/83/73/1328628373.db2.gz ZLEOMKNMEQRHRY-NJBZPOFQSA-N 1 0 335.451 3.313 10 10 EGCERO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]Cc2ccccc2O)C12CCC2 ZINC000858225868 1328714792 /nfs/dbraw/zinc/71/47/92/1328714792.db2.gz JOSORRZYQXMHPR-INIZCTEOSA-N 1 0 332.444 3.414 10 10 EGCERO Cc1cc(C2([NH2+]C/C=C\c3ccc(N(C)C)cc3)CCOCC2)on1 ZINC000858326429 1328737051 /nfs/dbraw/zinc/73/70/51/1328737051.db2.gz OPSMNNNWJWYHSU-PLNGDYQASA-N 1 0 341.455 3.358 10 10 EGCERO C[C@H]([NH2+][C@@H]1[C@H](C)O[C@@H](C)[C@H]1C)c1ccc(N2CCOCC2)c(F)c1 ZINC000858529709 1328789344 /nfs/dbraw/zinc/78/93/44/1328789344.db2.gz OLSUONJTTLNALI-FACIQBDNSA-N 1 0 336.451 3.125 10 10 EGCERO CC[C@@H]([NH2+]CC(C)(C)C(=O)N1CCCC1)c1ccc(N(C)C)cc1 ZINC000858539958 1328791346 /nfs/dbraw/zinc/79/13/46/1328791346.db2.gz QVBCIOSOFPEXGK-GOSISDBHSA-N 1 0 331.504 3.442 10 10 EGCERO COc1ccc(N2CCC([NH2+][C@@H]3CC[C@@H]4COCC[C@@H]4C3)CC2)cc1 ZINC000921653279 1322371008 /nfs/dbraw/zinc/37/10/08/1322371008.db2.gz AAPLUIQCINOOAK-ZHALLVOQSA-N 1 0 344.499 3.459 10 10 EGCERO COc1ccc(N2CC[C@H]([NH2+][C@@H]3CC[C@H]4COCC[C@H]4C3)C2)cc1 ZINC000922238291 1322485149 /nfs/dbraw/zinc/48/51/49/1322485149.db2.gz SBWBDEAVTVCCSE-FJIDUMEYSA-N 1 0 330.472 3.069 10 10 EGCERO C[C@@H]([NH2+]Cc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)c1ccnnc1 ZINC000924713874 1323128625 /nfs/dbraw/zinc/12/86/25/1323128625.db2.gz GTQLXZUSRPZACF-RBSFLKMASA-N 1 0 344.434 3.080 10 10 EGCERO C[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1cnn(C2CCC2)c1 ZINC000924750772 1323145318 /nfs/dbraw/zinc/14/53/18/1323145318.db2.gz PQJPAKLRUTXVEA-INIZCTEOSA-N 1 0 340.471 3.296 10 10 EGCERO COc1ccc(N2CC[C@@H](C[NH2+][C@@H]3CCCc4oc(C)nc43)C2)cc1 ZINC000926610502 1327634734 /nfs/dbraw/zinc/63/47/34/1327634734.db2.gz DTVVTXGCDUYOHL-MAUKXSAKSA-N 1 0 341.455 3.485 10 10 EGCERO CCS(=O)(=O)c1ccccc1CC[NH2+][C@@H](C)c1ccccc1O ZINC000926908288 1327769616 /nfs/dbraw/zinc/76/96/16/1327769616.db2.gz HYJJEHGDPVQESU-AWEZNQCLSA-N 1 0 333.453 3.079 10 10 EGCERO C[C@H]([NH2+]C[C@@]1(C)CCCCO1)c1ccc(N2CCOCC2)c(F)c1 ZINC000927020809 1327824551 /nfs/dbraw/zinc/82/45/51/1327824551.db2.gz LRTIEGOJVUGRRU-HNAYVOBHSA-N 1 0 336.451 3.272 10 10 EGCERO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+]Cc1cnc2c(cnn2C)c1 ZINC000865604001 1329718737 /nfs/dbraw/zinc/71/87/37/1329718737.db2.gz QQUBHTCMWQLDTB-HNNXBMFYSA-N 1 0 337.471 3.064 10 10 EGCERO COc1ccc(N2CC[C@@H](C[NH2+]Cc3cnc(Cl)c(F)c3)C2)cc1 ZINC000865608612 1329719470 /nfs/dbraw/zinc/71/94/70/1329719470.db2.gz LVJJCHXURNGUNI-ZDUSSCGKSA-N 1 0 349.837 3.499 10 10 EGCERO C[C@@H]1C[C@H]([NH2+]CCOCC(=O)OC(C)(C)C)c2c1c(F)ccc2O ZINC000866437415 1330112626 /nfs/dbraw/zinc/11/26/26/1330112626.db2.gz GQXAXDWUCMYYTR-YPMHNXCESA-N 1 0 339.407 3.028 10 10 EGCERO CC[C@@H]([NH2+]CC[C@H](O)C(F)F)c1ccc(C(F)(F)F)cc1O ZINC000866442748 1330112837 /nfs/dbraw/zinc/11/28/37/1330112837.db2.gz RJDLEVDSGCOJKG-MNOVXSKESA-N 1 0 327.293 3.468 10 10 EGCERO C[C@H]([NH2+]C1CN(c2ccncn2)C1)c1ccc(N2CCCCC2)cc1 ZINC000866494820 1330118378 /nfs/dbraw/zinc/11/83/78/1330118378.db2.gz SZJICPKJMINQMA-INIZCTEOSA-N 1 0 337.471 3.006 10 10 EGCERO CC[C@@H]([NH2+]C[C@H]1CC2(CO1)CCOCC2)c1ccc(N(C)C)cc1 ZINC000866530903 1330122597 /nfs/dbraw/zinc/12/25/97/1330122597.db2.gz BTYWGRPBIRSFLD-RTBURBONSA-N 1 0 332.488 3.379 10 10 EGCERO CCOc1ccc(N(Cc2nc(C(C)(C)[NH3+])no2)CC2CC2)cc1 ZINC000866673646 1330140379 /nfs/dbraw/zinc/14/03/79/1330140379.db2.gz ZDSRHSNIJVQIED-UHFFFAOYSA-N 1 0 330.432 3.079 10 10 EGCERO COc1ccc(C[NH2+]C2(CNC(=O)C[C@@H](C)C3CC3)CC2)cc1C ZINC001323617048 1387408467 /nfs/dbraw/zinc/40/84/67/1387408467.db2.gz RMFSVMRMLLOOFZ-CQSZACIVSA-N 1 0 330.472 3.178 10 10 EGCERO CC[C@@H](C)C(=O)N1CC[C@](C)(C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001324692683 1387739802 /nfs/dbraw/zinc/73/98/02/1387739802.db2.gz GBXDYMNCJLCDNF-FOIQADDNSA-N 1 0 332.488 3.378 10 10 EGCERO COc1cccc([C@]2(C)CC[N@H+](Cc3cc4c(cc3O)OCO4)C2)c1 ZINC001118531696 1371194453 /nfs/dbraw/zinc/19/44/53/1371194453.db2.gz JMOGTSQUURJZJA-HXUWFJFHSA-N 1 0 341.407 3.293 10 10 EGCERO CCCC[NH2+]C[C@H]1CCCCN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001326774341 1388307180 /nfs/dbraw/zinc/30/71/80/1388307180.db2.gz YJYHRHHNFXIBLA-MRXNPFEDSA-N 1 0 345.447 3.233 10 10 EGCERO C[C@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)[NH2+]CCCC1CCC1 ZINC001265873201 1377170577 /nfs/dbraw/zinc/17/05/77/1377170577.db2.gz PCOYCTDSRQIEHK-CYBMUJFWSA-N 1 0 345.447 3.137 10 10 EGCERO CCCC[NH2+]C[C@H]1CCCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001266826575 1377387497 /nfs/dbraw/zinc/38/74/97/1377387497.db2.gz TVJQRLXQYVCDOW-CQSZACIVSA-N 1 0 345.447 3.091 10 10 EGCERO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cc2cc(O)c(O)cc2s1 ZINC001136733388 1377418567 /nfs/dbraw/zinc/41/85/67/1377418567.db2.gz WCXOSUZTMZKKJI-CYBMUJFWSA-N 1 0 348.468 3.307 10 10 EGCERO COc1ccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)CCc2ccco2)cc1C ZINC001282096536 1378474992 /nfs/dbraw/zinc/47/49/92/1378474992.db2.gz PSJBNELBANORKC-JKSUJKDBSA-N 1 0 344.455 3.212 10 10 EGCERO COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)Cc2ccc(C)o2)cc1C ZINC001283598641 1379044447 /nfs/dbraw/zinc/04/44/47/1379044447.db2.gz OCRYBFDDWVVTIH-OAHLLOKOSA-N 1 0 344.455 3.084 10 10 EGCERO CC[C@@H]1C[C@H](C)CN1C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001313410097 1384416526 /nfs/dbraw/zinc/41/65/26/1384416526.db2.gz DMVPDHAUUKSBCA-KVSKMBFKSA-N 1 0 346.519 3.185 10 10 EGCERO COc1ccc(C[NH2+][C@H]2C[C@@H](CNC(=O)/C=C(/C)C3CC3)C2)cc1C ZINC001316612195 1384482258 /nfs/dbraw/zinc/48/22/58/1384482258.db2.gz DSSHKSPMRIZHOL-JHIQMGMOSA-N 1 0 342.483 3.344 10 10 EGCERO CC/C=C(\C)C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001316628256 1384493062 /nfs/dbraw/zinc/49/30/62/1384493062.db2.gz HFOCNIQELYEOIY-SCRGCVCUSA-N 1 0 330.472 3.344 10 10 EGCERO C[C@@H](NC(=O)c1ccc(Nc2cc[nH+]cc2)cc1)c1ccccc1O ZINC001171723655 1384613659 /nfs/dbraw/zinc/61/36/59/1384613659.db2.gz WEDWAPGTARYPDY-CQSZACIVSA-N 1 0 333.391 3.444 10 10 EGCERO COc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)C[C@@H](C)C2CC2)cc1C ZINC001319594044 1386195902 /nfs/dbraw/zinc/19/59/02/1386195902.db2.gz RBEIBHDMQOWPPZ-ZBFHGGJFSA-N 1 0 332.488 3.376 10 10 EGCERO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]C[C@@H]1CCC2(CCOCC2)[C@@H]1O ZINC001321792173 1386985769 /nfs/dbraw/zinc/98/57/69/1386985769.db2.gz DSSAUMKZWCXNAV-NARAOEGZSA-N 1 0 345.483 3.406 10 10 EGCERO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]C[C@@H]1CCC2(CCOCC2)[C@H]1O ZINC001321792174 1386986221 /nfs/dbraw/zinc/98/62/21/1386986221.db2.gz DSSAUMKZWCXNAV-OLPIVMHESA-N 1 0 345.483 3.406 10 10 EGCERO CC[N@H+](C)[C@@H]1CCN(C(=O)Cc2cc(C)n(-c3ccccc3)c2C)C1 ZINC001181837979 1387063105 /nfs/dbraw/zinc/06/31/05/1387063105.db2.gz AJAPXXQQTIUPJQ-HXUWFJFHSA-N 1 0 339.483 3.189 10 10 EGCERO Cc1noc([C@H]2OCC[C@H]2[NH2+][C@@H]2C[C@H](C)c3c2c(O)ccc3C)n1 ZINC001329191726 1389014803 /nfs/dbraw/zinc/01/48/03/1389014803.db2.gz PGKCFPAFMRUMAI-VDXNLZSASA-N 1 0 329.400 3.060 10 10 EGCERO COC(=O)c1c(C[NH2+]Cc2cccnc2C)c2cc(F)ccc2n1C ZINC001331549265 1389795527 /nfs/dbraw/zinc/79/55/27/1389795527.db2.gz RGXQVJYVJRWRPC-UHFFFAOYSA-N 1 0 341.386 3.097 10 10 EGCERO COc1ccc(C[NH2+]C[C@@H](C)CNC(=O)C2(C)CCCC2)cc1C ZINC001698766401 1406423324 /nfs/dbraw/zinc/42/33/24/1406423324.db2.gz XFHYWTXASYWAHB-OAHLLOKOSA-N 1 0 332.488 3.426 10 10 EGCERO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]Cc1nnc(C2CCOCC2)[nH]1 ZINC001335520971 1390697948 /nfs/dbraw/zinc/69/79/48/1390697948.db2.gz KFGFLHUZFYDNJG-TZMCWYRMSA-N 1 0 342.443 3.051 10 10 EGCERO C[C@H]([NH2+]C[C@@H](O)CC[C@@H](O)c1ccccc1)c1ccc(N(C)C)cc1 ZINC001351320692 1391626678 /nfs/dbraw/zinc/62/66/78/1391626678.db2.gz OCTKHSLFULKPRJ-ORYQWCPZSA-N 1 0 342.483 3.278 10 10 EGCERO CC[N@H+](Cc1ccc(C(=O)NCc2cccc(O)c2O)cc1)C(C)C ZINC001352657583 1391829106 /nfs/dbraw/zinc/82/91/06/1391829106.db2.gz HSEVADIYNPWQMS-UHFFFAOYSA-N 1 0 342.439 3.258 10 10 EGCERO COc1ccc(C[NH2+]C[C@H](C)CNC(=O)[C@@H]2CC=CCC2)cc1C ZINC001482075178 1394736806 /nfs/dbraw/zinc/73/68/06/1394736806.db2.gz JSZNMKHDDAFNNN-MAUKXSAKSA-N 1 0 330.472 3.202 10 10 EGCERO COc1ccc(C[NH2+]C[C@@]2(C)CCN(C(=O)C(C)(C)F)C2)cc1C ZINC001484074542 1395236318 /nfs/dbraw/zinc/23/63/18/1395236318.db2.gz NSGGDBHIOHLFJZ-LJQANCHMSA-N 1 0 336.451 3.080 10 10 EGCERO COc1ccc(C[NH2+][C@@H](C)CCNC(=O)[C@@H](C)c2ccco2)cc1C ZINC001492082277 1396303010 /nfs/dbraw/zinc/30/30/10/1396303010.db2.gz ADALTCWAKGWVOX-HOTGVXAUSA-N 1 0 344.455 3.385 10 10 EGCERO COc1ccc(C[NH2+]CC[C@@H](C)NC(=O)c2cc(Cl)c[nH]2)cc1C ZINC001497143327 1396734462 /nfs/dbraw/zinc/73/44/62/1396734462.db2.gz RUQZFARPZKDCMK-CYBMUJFWSA-N 1 0 349.862 3.283 10 10 EGCERO COc1ccc(C[NH2+]CC[C@H](C)NC(=O)c2cnc(C)s2)cc1C ZINC001699084946 1412503778 /nfs/dbraw/zinc/50/37/78/1412503778.db2.gz LAXDMJJPEDKFNZ-ZDUSSCGKSA-N 1 0 347.484 3.067 10 10 EGCERO COc1ccc(C[NH2+]CC[C@@H](C)NC(=O)[C@@H]2C[C@H]2C2CCC2)cc1C ZINC001699140854 1412531012 /nfs/dbraw/zinc/53/10/12/1412531012.db2.gz BJLLTHYQMVOFOE-AYOQOUSVSA-N 1 0 344.499 3.424 10 10 EGCERO COc1ccc(C[NH2+]C2(CNC(=O)C3=CCCC3)CCC2)cc1C ZINC001700129774 1413545224 /nfs/dbraw/zinc/54/52/24/1413545224.db2.gz DTNJWVFPPDLXOB-UHFFFAOYSA-N 1 0 328.456 3.242 10 10 EGCERO COc1ccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)CCC(F)F)cc1C ZINC001700407690 1413945676 /nfs/dbraw/zinc/94/56/76/1413945676.db2.gz GBFKCTVEUBJGRB-QWHCGFSZSA-N 1 0 328.403 3.032 10 10 EGCERO COc1ccc(C[NH2+]C[C@H]2CC[C@@H](NC(=O)C=C(C)C)C2)cc1C ZINC001700888071 1414546846 /nfs/dbraw/zinc/54/68/46/1414546846.db2.gz WYWOBQSKJOAUGN-ZWKOTPCHSA-N 1 0 330.472 3.344 10 10 EGCERO CC[C@H](CNC(=O)C1C=CC=CC=C1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001714075220 1418869713 /nfs/dbraw/zinc/86/97/13/1418869713.db2.gz KKNRRWQJWNTPKD-LJQANCHMSA-N 1 0 340.467 3.286 10 10 EGCERO COc1ccc(C[NH2+]C2(CNC(=O)CC3CCCC3)CC2)cc1C ZINC001733235462 1429373845 /nfs/dbraw/zinc/37/38/45/1429373845.db2.gz PLUVGEGQPKWTLU-UHFFFAOYSA-N 1 0 330.472 3.322 10 10 EGCERO COc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)C(C)(C)C(F)F)cc1C ZINC001715364227 1420061490 /nfs/dbraw/zinc/06/14/90/1420061490.db2.gz USOGAQAZLJCGPV-CYBMUJFWSA-N 1 0 342.430 3.231 10 10 EGCERO COc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)C2(CF)CCC2)cc1C ZINC001715367627 1420064606 /nfs/dbraw/zinc/06/46/06/1420064606.db2.gz WYYJAGSDBXIMKS-HNNXBMFYSA-N 1 0 336.451 3.080 10 10 EGCERO COc1ccc(C[NH2+]C2(CNC(=O)c3[nH]c(C)cc3C)CC2)cc1C ZINC001733247843 1429394408 /nfs/dbraw/zinc/39/44/08/1429394408.db2.gz SUWMJJDJOCKFCL-UHFFFAOYSA-N 1 0 341.455 3.001 10 10 EGCERO COc1ccc(C[NH2+]C2(CNC(=O)[C@H]3[C@@H]4CCC[C@@H]43)CCC2)cc1C ZINC001717148342 1421139910 /nfs/dbraw/zinc/13/99/10/1421139910.db2.gz JONZRCVCLAKFJV-DZFIZOCASA-N 1 0 342.483 3.178 10 10 EGCERO CC/C=C(/C)C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001717636746 1421544381 /nfs/dbraw/zinc/54/43/81/1421544381.db2.gz CEAPFCAQFVCZMC-GTNCECTCSA-N 1 0 330.472 3.344 10 10 EGCERO COc1ccc(C[NH2+]CCC[C@@H](C)NC(=O)c2cc(F)c[nH]2)cc1C ZINC001717679144 1421562764 /nfs/dbraw/zinc/56/27/64/1421562764.db2.gz UKALNBQOINSIOO-CQSZACIVSA-N 1 0 347.434 3.159 10 10 EGCERO CCCC[NH2+]C[C@@H]1CC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001725668082 1426351420 /nfs/dbraw/zinc/35/14/20/1426351420.db2.gz ZWCKHIJITFPJLV-CJNGLKHVSA-N 1 0 345.447 3.137 10 10 EGCERO COc1ccc(C[NH2+][C@@H](C)CNC(=O)c2cc(C(C)C)on2)cc1C ZINC001731607901 1427653589 /nfs/dbraw/zinc/65/35/89/1427653589.db2.gz HSUFCENVYDPSHH-AWEZNQCLSA-N 1 0 345.443 3.023 10 10 EGCERO COc1ccc(C[NH2+][C@H]2CCC[C@@H](NC(=O)C=C(C)C)C2)cc1C ZINC001731687117 1427734799 /nfs/dbraw/zinc/73/47/99/1427734799.db2.gz XCTDLJOWKOALOV-ZWKOTPCHSA-N 1 0 330.472 3.487 10 10 EGCERO COc1ccc(C[NH2+]CCN(C)C(=O)Cc2ccsc2C)cc1C ZINC001731960492 1428184553 /nfs/dbraw/zinc/18/45/53/1428184553.db2.gz BDWNNLFNCZETKO-UHFFFAOYSA-N 1 0 346.496 3.164 10 10 EGCERO COc1ccc(C[NH2+][C@H](C)[C@H](C)NC(=O)c2scnc2C)cc1C ZINC001733962291 1437767606 /nfs/dbraw/zinc/76/76/06/1437767606.db2.gz JFTODLXVWGGRQN-OLZOCXBDSA-N 1 0 347.484 3.065 10 10 EGCERO C[C@H](NC(=O)c1ccc(N=NC(N)=O)cc1)[C@H](C)[NH2+]CC1CCCC1 ZINC001734003261 1437795538 /nfs/dbraw/zinc/79/55/38/1437795538.db2.gz FXOKYSOLVJUGFP-STQMWFEESA-N 1 0 345.447 3.136 10 10 EGCERO CC(C)CCC[N@H+](C)[C@@H](C)CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001734064153 1437859074 /nfs/dbraw/zinc/85/90/74/1437859074.db2.gz AKORLZNQQNAVRP-AWEZNQCLSA-N 1 0 347.463 3.335 10 10 EGCERO CCN(C)c1ccc(C[NH2+][C@@](C)(CO)Cc2ccc(OC)cc2)cc1 ZINC001473839049 1126199529 /nfs/dbraw/zinc/19/95/29/1126199529.db2.gz QLDMMJGVXYHGJC-OAQYLSRUSA-N 1 0 342.483 3.235 10 10 EGCERO Cc1cc(C(=O)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)c(C)n1-c1cccc(C)c1 ZINC000237887687 455228780 /nfs/dbraw/zinc/22/87/80/455228780.db2.gz ILUUTVFUKORWOB-JWTNVVGKSA-N 1 0 337.467 3.415 10 10 EGCERO C[C@@H]([NH2+][C@H](Cc1ccccc1)C(=O)N(C)C)c1ccc(N(C)C)cc1 ZINC000159076818 455350014 /nfs/dbraw/zinc/35/00/14/455350014.db2.gz GJTGGTKTLMHUSN-OXQOHEQNSA-N 1 0 339.483 3.103 10 10 EGCERO COc1cc(Cl)cc(C[N@@H+]2CC[C@H](C)[C@@H](n3ccnc3)C2)c1O ZINC000184702756 455431635 /nfs/dbraw/zinc/43/16/35/455431635.db2.gz GIRZTCJHPAKNDI-WFASDCNBSA-N 1 0 335.835 3.334 10 10 EGCERO CCN(CC)c1ccc(C[N@@H+]2CCCC[C@H]2[C@H]2CNC(=O)C2)cc1 ZINC000092105995 454524967 /nfs/dbraw/zinc/52/49/67/454524967.db2.gz UXKWVHOMRZENSE-MJGOQNOKSA-N 1 0 329.488 3.023 10 10 EGCERO CCOCc1cc(C[NH2+][C@@H]2CCCc3[nH]c(=O)ccc32)ccc1OC ZINC000051188584 454613310 /nfs/dbraw/zinc/61/33/10/454613310.db2.gz OABDQORFYIIALQ-QGZVFWFLSA-N 1 0 342.439 3.087 10 10 EGCERO C[C@H]([NH2+]CCCN1CCOC1=O)c1ccc(N2CCCCC2)cc1 ZINC000178584435 454962853 /nfs/dbraw/zinc/96/28/53/454962853.db2.gz OBRZFMQBFVMVNI-INIZCTEOSA-N 1 0 331.460 3.170 10 10 EGCERO CCCN(Cc1nc(C(=O)OCC)cs1)Cc1ccccc1O ZINC000292598983 455708366 /nfs/dbraw/zinc/70/83/66/455708366.db2.gz LCICHEHNVNFVJY-UHFFFAOYSA-N 1 0 334.441 3.438 10 10 EGCERO Cc1cc(Cl)cc(C[N@@H+]2CCSC3(CCOCC3)C2)c1O ZINC000186487566 455779073 /nfs/dbraw/zinc/77/90/73/455779073.db2.gz ZKFWMHFSCBQHBC-UHFFFAOYSA-N 1 0 327.877 3.452 10 10 EGCERO CCN(CC)c1ccc(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1F ZINC000279317495 455862387 /nfs/dbraw/zinc/86/23/87/455862387.db2.gz BLELCXHQIMWYCU-HOCLYGCPSA-N 1 0 335.467 3.018 10 10 EGCERO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCN(c3ncccn3)C2)c(O)c1C ZINC000273433898 456229660 /nfs/dbraw/zinc/22/96/60/456229660.db2.gz WKCAJHTYVNHWJN-HZPDHXFCSA-N 1 0 326.444 3.119 10 10 EGCERO CCOc1ccc(O)c(C[N@@H+]2CCC3(C2)Oc2ccccc2O3)c1 ZINC000290125824 456246849 /nfs/dbraw/zinc/24/68/49/456246849.db2.gz JFWJKNNEZPYKNI-UHFFFAOYSA-N 1 0 327.380 3.164 10 10 EGCERO CCO[C@H]1C[C@H](O)C12CC[NH+](Cc1cc(Cl)cc(C)c1O)CC2 ZINC000305756585 456554754 /nfs/dbraw/zinc/55/47/54/456554754.db2.gz AKHWFYVEQHAQNA-HOTGVXAUSA-N 1 0 339.863 3.106 10 10 EGCERO CCN(CC)c1ccc(C[NH2+]C[C@H]2CCC3(CCOCC3)[C@H]2O)cc1 ZINC000282913766 456663441 /nfs/dbraw/zinc/66/34/41/456663441.db2.gz VHYHGAGKPFKWOT-QUCCMNQESA-N 1 0 346.515 3.190 10 10 EGCERO Cc1cc(Br)cc(C[N@@H+]2CC[C@@]3(C2)CCCOC3)c1O ZINC000375305122 457875052 /nfs/dbraw/zinc/87/50/52/457875052.db2.gz WBBXQMKRJZWWSP-MRXNPFEDSA-N 1 0 340.261 3.466 10 10 EGCERO Cc1cc(Cl)cc(CN2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)c1O ZINC000367753759 457978741 /nfs/dbraw/zinc/97/87/41/457978741.db2.gz LCPJBGUFXJPFSQ-BRWVUGGUSA-N 1 0 338.879 3.038 10 10 EGCERO c1cc(N2CCOCC2)ccc1C[N@@H+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000368217653 458019350 /nfs/dbraw/zinc/01/93/50/458019350.db2.gz ZQJDWSWSLKEGCL-PMACEKPBSA-N 1 0 342.483 3.057 10 10 EGCERO CCOC(=O)C[C@@H]1C[C@H](OC)C[N@@H+]1Cc1c(O)ccc2ccccc21 ZINC000376949357 458427138 /nfs/dbraw/zinc/42/71/38/458427138.db2.gz OCPIEXUJAFXWKH-HOTGVXAUSA-N 1 0 343.423 3.088 10 10 EGCERO COc1ccc(O)c([C@H](C)[NH2+]C[C@@]2(C)COc3ccccc3O2)c1 ZINC000527926911 459773750 /nfs/dbraw/zinc/77/37/50/459773750.db2.gz ADFSXPDARWQCSS-DJJJIMSYSA-N 1 0 329.396 3.282 10 10 EGCERO CC[NH+](CC)[C@H](C)CNC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000745488314 576848550 /nfs/dbraw/zinc/84/85/50/576848550.db2.gz GIUSDNFHPYYQJA-QGZVFWFLSA-N 1 0 348.535 3.403 10 10 EGCERO C[C@H](Cc1ccc(O)cc1)[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000093324709 1292915626 /nfs/dbraw/zinc/91/56/26/1292915626.db2.gz DHEWJGGONUWVEV-QGZVFWFLSA-N 1 0 340.467 3.292 10 10 EGCERO COc1cc(C)cc(C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)c1O ZINC000164479668 1294348573 /nfs/dbraw/zinc/34/85/73/1294348573.db2.gz HODLIFYKIQDDFY-UHFFFAOYSA-N 1 0 328.368 3.176 10 10 EGCERO CC[C@@H]([NH2+]Cc1ccc(N2CCC(CO)CC2)cc1)[C@@H]1CCCOC1 ZINC000872028497 1296674825 /nfs/dbraw/zinc/67/48/25/1296674825.db2.gz RPUCHMJVGSCBTG-TZIWHRDSSA-N 1 0 346.515 3.190 10 10 EGCERO Cc1ccc([C@@H](C)[NH2+]CC2C[C@H]3CC[C@@H](C2)S3(=O)=O)c(O)c1C ZINC000872118574 1296743494 /nfs/dbraw/zinc/74/34/94/1296743494.db2.gz CBQNNABUOQDHBT-WZYMTQMTSA-N 1 0 337.485 3.015 10 10 EGCERO Cc1cc(Br)cc([C@H](C)[NH2+]CC[C@H](O)C(F)F)c1O ZINC000866442181 1330112755 /nfs/dbraw/zinc/11/27/55/1330112755.db2.gz GJNFXHIEAKVYKO-KWQFWETISA-N 1 0 338.192 3.130 10 10 EGCERO CC(=O)c1ccccc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccccc1O ZINC000879651502 1300651667 /nfs/dbraw/zinc/65/16/67/1300651667.db2.gz YNLVQMVJDBEHDO-STQMWFEESA-N 1 0 326.396 3.273 10 10 EGCERO COC(=O)c1c(C[NH2+]CCC[C@H]2CCOC2)c2cc(F)ccc2n1C ZINC000894929447 1309128569 /nfs/dbraw/zinc/12/85/69/1309128569.db2.gz UUJRNGLCLRGZES-ZDUSSCGKSA-N 1 0 348.418 3.010 10 10 EGCERO COc1ccc(N2CC[C@H]([NH2+]Cc3cccc4c3NCCC4)C2)cc1 ZINC000895229403 1309248007 /nfs/dbraw/zinc/24/80/07/1309248007.db2.gz UYBTXNHRAVZZTR-SFHVURJKSA-N 1 0 337.467 3.422 10 10 EGCERO COC[C@H]1C[C@@H]([NH2+]Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC000895623455 1309433098 /nfs/dbraw/zinc/43/30/98/1309433098.db2.gz SWCYXTVCUPPRQT-MAEOIBBWSA-N 1 0 327.424 3.486 10 10 EGCERO Oc1cc2c(cc1C[N@@H+]1CCCC[C@@H](C3CCOCC3)C1)OCO2 ZINC000895717141 1309485908 /nfs/dbraw/zinc/48/59/08/1309485908.db2.gz NICBPMNXPXXYRE-OAHLLOKOSA-N 1 0 333.428 3.150 10 10 EGCERO Oc1cc(Br)ccc1C[NH2+]C[C@@H]1CC2(CCC2)CO1 ZINC000895789181 1309521286 /nfs/dbraw/zinc/52/12/86/1309521286.db2.gz MIRZQZMJHHWODS-ZDUSSCGKSA-N 1 0 326.234 3.204 10 10 EGCERO O=C(c1cc2cc(O)c(O)cc2s1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000896182555 1309734125 /nfs/dbraw/zinc/73/41/25/1309734125.db2.gz QZPSPMSCNLGVAM-CYBMUJFWSA-N 1 0 346.452 3.013 10 10 EGCERO C[C@@H]1C[C@@H]([NH2+][C@H]2c3ccccc3CN(C)C2=O)c2c1c(F)ccc2O ZINC000857875046 1328612110 /nfs/dbraw/zinc/61/21/10/1328612110.db2.gz FPRFCVDCCGMUSL-VWCVUJCZSA-N 1 0 340.398 3.383 10 10 EGCERO COc1cccc(O)c1C[N@@H+]1CC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858015221 1328659717 /nfs/dbraw/zinc/65/97/17/1328659717.db2.gz SYKHWIVLWBCPGJ-INIZCTEOSA-N 1 0 340.423 3.327 10 10 EGCERO C[C@@H]([NH2+][C@H]1CCN(C2CCC2)C1=O)c1ccc(N2CCCCC2)cc1 ZINC000858602470 1328806529 /nfs/dbraw/zinc/80/65/29/1328806529.db2.gz ADKSGEHUWOMCKE-UZLBHIALSA-N 1 0 341.499 3.481 10 10 EGCERO C[C@@H]([NH2+][C@@H]1CCN(C2CCC2)C1=O)c1ccc(N2CCCCC2)cc1 ZINC000858602469 1328806662 /nfs/dbraw/zinc/80/66/62/1328806662.db2.gz ADKSGEHUWOMCKE-OXQOHEQNSA-N 1 0 341.499 3.481 10 10 EGCERO COc1ccccc1OCC[N@H+](C)Cc1cc2c(cc1O)CCC2 ZINC000917486048 1319821370 /nfs/dbraw/zinc/82/13/70/1319821370.db2.gz BNKAMSHUDFVXQH-UHFFFAOYSA-N 1 0 327.424 3.400 10 10 EGCERO CCCN(CC(F)(F)F)C(=O)C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000859258246 1328956265 /nfs/dbraw/zinc/95/62/65/1328956265.db2.gz KZKJVJFJIBCIED-ZDUSSCGKSA-N 1 0 345.409 3.204 10 10 EGCERO c1cc2c(cc1C[NH2+]C[C@H]1CCC3(CCOCC3)CO1)CCCO2 ZINC000922329539 1322502739 /nfs/dbraw/zinc/50/27/39/1322502739.db2.gz GOQSQCVETNOMSL-GOSISDBHSA-N 1 0 331.456 3.077 10 10 EGCERO c1cc(N2CCOCC2)ccc1C[NH2+]C[C@@H]1CCCC2(CCC2)O1 ZINC000922806603 1322622904 /nfs/dbraw/zinc/62/29/04/1322622904.db2.gz YFKDIXCYEOMAAI-IBGZPJMESA-N 1 0 330.472 3.105 10 10 EGCERO CCN(CC)c1ccc(C[NH2+][C@@H]2CCOC23CCOCC3)cc1F ZINC000925011600 1323245373 /nfs/dbraw/zinc/24/53/73/1323245373.db2.gz BYOJHSHJEUPRKT-GOSISDBHSA-N 1 0 336.451 3.100 10 10 EGCERO C[C@@H](NCc1cc(N)cc[nH+]1)c1ccc(N2CCOCC2)cc1Cl ZINC000925771949 1325294215 /nfs/dbraw/zinc/29/42/15/1325294215.db2.gz PISWISCIQSDNBN-CYBMUJFWSA-N 1 0 346.862 3.005 10 10 EGCERO CCn1nc(C)c([C@@H](C)[NH2+][C@@H](C)Cc2ccc(N(C)C)cc2C)n1 ZINC000926597341 1327630592 /nfs/dbraw/zinc/63/05/92/1327630592.db2.gz WREIJGKHGBLAIK-LSDHHAIUSA-N 1 0 329.492 3.263 10 10 EGCERO COc1ccc(N2CC[C@H](C[NH2+][C@H]3CCCN4CCCC[C@@H]34)C2)cc1 ZINC000926610706 1327634155 /nfs/dbraw/zinc/63/41/55/1327634155.db2.gz FKEYJRLYPCPFIC-QMMLZNLJSA-N 1 0 343.515 3.128 10 10 EGCERO COc1cccc([C@H](C)[NH2+][C@H]2C[C@@](CO)(c3ccccc3)C2)c1O ZINC000927157716 1327899014 /nfs/dbraw/zinc/89/90/14/1327899014.db2.gz VYKSPXGJGBXMPP-DKICVRJWSA-N 1 0 327.424 3.144 10 10 EGCERO C[C@@H]1[NH2+]CC[C@H]1NC(=O)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC000861567598 1329427122 /nfs/dbraw/zinc/42/71/22/1329427122.db2.gz KUXBJCSLVUOLMI-HNAYVOBHSA-N 1 0 344.503 3.005 10 10 EGCERO COc1ccc(N2CC[C@@H]([NH2+]Cc3cnc4ccccc4n3)C2)cc1 ZINC000862407875 1329483788 /nfs/dbraw/zinc/48/37/88/1329483788.db2.gz PNQWSULMUXRKGC-OAHLLOKOSA-N 1 0 334.423 3.007 10 10 EGCERO CCCN(CCC)c1ccc(C[N@H+](C)[C@@H]2CCC(=O)N(C)C2)cc1 ZINC000862428081 1329485961 /nfs/dbraw/zinc/48/59/61/1329485961.db2.gz KCDLARUFAVDEGM-LJQANCHMSA-N 1 0 331.504 3.366 10 10 EGCERO COc1cc(Cl)cc(C[NH2+]C[C@@H]2Cc3ccccc3CO2)c1O ZINC000862436068 1329486787 /nfs/dbraw/zinc/48/67/87/1329486787.db2.gz VRODQFQNIUFFOV-INIZCTEOSA-N 1 0 333.815 3.285 10 10 EGCERO Oc1cc2c(cc1C[N@@H+]1C[C@@H]3C[C@@H](c4ccccc4)[C@@H]3C1)[C@H](O)CO2 ZINC000863321079 1329546266 /nfs/dbraw/zinc/54/62/66/1329546266.db2.gz NVIPQKYDGFENHG-LBLLVPRASA-N 1 0 337.419 3.054 10 10 EGCERO Oc1cc2c(cc1C[N@@H+]1C[C@@H]3C[C@@H](c4ccccc4)[C@@H]3C1)[C@@H](O)CO2 ZINC000863321080 1329546460 /nfs/dbraw/zinc/54/64/60/1329546460.db2.gz NVIPQKYDGFENHG-LLYILUEJSA-N 1 0 337.419 3.054 10 10 EGCERO C[C@@H](N[C@@H]1CC[NH2+]C12CCC2)c1ccc(N2CCOCC2)cc1Cl ZINC000863540551 1329561970 /nfs/dbraw/zinc/56/19/70/1329561970.db2.gz BOZMVTZOAPZINR-RDTXWAMCSA-N 1 0 349.906 3.112 10 10 EGCERO CN(C)c1cc(F)c(C[NH2+]Cc2cccc3c2CCOC3)cc1F ZINC000865724513 1329732939 /nfs/dbraw/zinc/73/29/39/1329732939.db2.gz WLXUNSMGNLXAGJ-UHFFFAOYSA-N 1 0 332.394 3.393 10 10 EGCERO c1cc(N2CCOCC2)ccc1C[NH2+]C1([C@H]2CCCCO2)CCC1 ZINC000865856317 1329745856 /nfs/dbraw/zinc/74/58/56/1329745856.db2.gz GCBKLJFLIPXZQM-LJQANCHMSA-N 1 0 330.472 3.105 10 10 EGCERO CN1CCN(c2ccc(C[NH2+]CC3(C(F)(F)F)CC3)cc2F)CC1 ZINC001323750508 1387441884 /nfs/dbraw/zinc/44/18/84/1387441884.db2.gz ZOLVBPBILRBYAT-UHFFFAOYSA-N 1 0 345.384 3.010 10 10 EGCERO O=C(C=Cc1ccc(O)c(O)c1)Nc1ccc(Nc2cc[nH+]cc2)cc1 ZINC001144595566 1378749194 /nfs/dbraw/zinc/74/91/94/1378749194.db2.gz HWSOXIDYOREKFG-WAPJZHGLSA-N 1 0 347.374 3.310 10 10 EGCERO Cc1cc(CNC(=O)[C@@H]2CCC[N@@H+]2C2CC2)c(C)n1-c1ccccc1 ZINC001151154474 1379668406 /nfs/dbraw/zinc/66/84/06/1379668406.db2.gz WEOOEJCIWMULPZ-FQEVSTJZSA-N 1 0 337.467 3.337 10 10 EGCERO CN1C(=O)c2ccccc2[C@@H]1C[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001328701350 1388813779 /nfs/dbraw/zinc/81/37/79/1388813779.db2.gz YPQANOJWHDCKQH-FQEVSTJZSA-N 1 0 335.451 3.203 10 10 EGCERO O=C(NCc1cc(O)ccc1O)c1cccc(C[NH+]2CCCCC2)c1 ZINC001303225192 1383788727 /nfs/dbraw/zinc/78/87/27/1383788727.db2.gz AVSFHCRWMHKJSR-UHFFFAOYSA-N 1 0 340.423 3.014 10 10 EGCERO COC1CCN(c2ccc(C[NH+]3CCC(O)(C(C)C)CC3)cc2)CC1 ZINC001308159302 1384103214 /nfs/dbraw/zinc/10/32/14/1384103214.db2.gz HHKPMQRLYRJKJJ-UHFFFAOYSA-N 1 0 346.515 3.285 10 10 EGCERO CC[C@@H](C)C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001316645984 1384504451 /nfs/dbraw/zinc/50/44/51/1384504451.db2.gz KMFOKJKEZOHHRM-FHLIZLRMSA-N 1 0 332.488 3.424 10 10 EGCERO CCC1(C(=O)NC[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C2CC2)CC1 ZINC001317023647 1384789666 /nfs/dbraw/zinc/78/96/66/1384789666.db2.gz RLIIEVLJXDAZJZ-QGZVFWFLSA-N 1 0 330.472 3.178 10 10 EGCERO CCC1(C(=O)N[C@H]2C[C@H](C[NH2+]Cc3ccc(OC)c(C)c3)C2)CC1 ZINC001330655493 1389485705 /nfs/dbraw/zinc/48/57/05/1389485705.db2.gz IMULTLSUXISXGN-QAQDUYKDSA-N 1 0 330.472 3.178 10 10 EGCERO COc1ccc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@H](C)C(C)C)C2)cc1C ZINC001330668351 1389490750 /nfs/dbraw/zinc/49/07/50/1389490750.db2.gz UXCNJZSDRBJVDL-KBAYOESNSA-N 1 0 332.488 3.280 10 10 EGCERO C[C@H]1CCCN(C(=O)CC[NH2+]C/C=C/c2ccc(N(C)C)cc2)C1 ZINC001330719394 1389508601 /nfs/dbraw/zinc/50/86/01/1389508601.db2.gz BLYPESZJBDPEHB-PFWMLDTASA-N 1 0 329.488 3.004 10 10 EGCERO CC/C(C)=C\C(=O)NC[C@@H]([NH2+]Cc1ccc(OC)c(C)c1)C1CC1 ZINC001480018419 1392537149 /nfs/dbraw/zinc/53/71/49/1392537149.db2.gz RZKMFDDHBGRGKR-RXEWJAMOSA-N 1 0 330.472 3.344 10 10 EGCERO COc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)C[C@@H]2C[C@H]2C2CC2)cc1C ZINC001482314888 1394887397 /nfs/dbraw/zinc/88/73/97/1394887397.db2.gz WHNGVFKFNJIOIQ-SNRMKQJTSA-N 1 0 344.499 3.376 10 10 EGCERO CCCN(C(=O)c1ccc(N=NC(N)=O)cc1)[C@H]1CC[N@@H+](C(C)C)C1 ZINC001691869920 1405592045 /nfs/dbraw/zinc/59/20/45/1405592045.db2.gz RVRVGPHCUYMJKZ-INIZCTEOSA-N 1 0 345.447 3.184 10 10 EGCERO COc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)[C@]23C[C@H]2CCC3)cc1C ZINC001732429121 1428577338 /nfs/dbraw/zinc/57/73/38/1428577338.db2.gz DVUJJNNNPGDNKJ-WRWLIDTKSA-N 1 0 330.472 3.130 10 10 EGCERO COc1ccc(C[NH2+]C[C@@H](NC(=O)[C@]2(C)C=CCC2)C2CC2)cc1C ZINC001699589311 1412947308 /nfs/dbraw/zinc/94/73/08/1412947308.db2.gz PHUOVGGPNUHQFC-WIYYLYMNSA-N 1 0 342.483 3.344 10 10 EGCERO COc1ccc(C[NH2+]C2(CNC(=O)c3[nH]ccc3C)CCC2)cc1C ZINC001700130802 1413546547 /nfs/dbraw/zinc/54/65/47/1413546547.db2.gz JGWPHBBOUGTFSW-UHFFFAOYSA-N 1 0 341.455 3.082 10 10 EGCERO COc1ccc(C[NH2+]CCN(C)C(=O)C2C(C)(C)C2(C)C)cc1C ZINC001714698637 1419476474 /nfs/dbraw/zinc/47/64/74/1419476474.db2.gz QQLFJTQKQUIYBW-UHFFFAOYSA-N 1 0 332.488 3.234 10 10 EGCERO COc1ccc(C[NH2+][C@H](CNC(=O)C2CCCC2)C(C)C)cc1C ZINC001715484428 1420164736 /nfs/dbraw/zinc/16/47/36/1420164736.db2.gz JLMHRLKKXCECOL-GOSISDBHSA-N 1 0 332.488 3.424 10 10 EGCERO COc1ccc(C[NH2+][C@@H](CNC(=O)c2cncs2)C(C)C)cc1C ZINC001715529086 1420218567 /nfs/dbraw/zinc/21/85/67/1420218567.db2.gz UAFVPNQSPGLARM-HNNXBMFYSA-N 1 0 347.484 3.004 10 10 EGCERO COc1ccc(C[NH2+]CC[C@H](C)NC(=O)/C=C/c2ccco2)cc1C ZINC001715617834 1420266458 /nfs/dbraw/zinc/26/64/58/1420266458.db2.gz GGOGOYPWXXUCBO-DYLHUKMJSA-N 1 0 342.439 3.294 10 10 EGCERO COc1ccc(C[NH2+]CC[C@H](C)NC(=O)[C@H](C)n2cccc2)cc1C ZINC001715632219 1420272610 /nfs/dbraw/zinc/27/26/10/1420272610.db2.gz DZKJFRIGGXUIAW-IRXDYDNUSA-N 1 0 343.471 3.051 10 10 EGCERO COc1ccc(C[NH2+]CC[C@H](C)NC(=O)[C@@H](C)n2cccc2)cc1C ZINC001715632213 1420272643 /nfs/dbraw/zinc/27/26/43/1420272643.db2.gz DZKJFRIGGXUIAW-DLBZAZTESA-N 1 0 343.471 3.051 10 10 EGCERO CCCc1[nH]ccc1C(=O)N[C@H](C)C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001715945716 1420414285 /nfs/dbraw/zinc/41/42/85/1420414285.db2.gz VYVXRGYBMBHWGM-OAHLLOKOSA-N 1 0 343.471 3.192 10 10 EGCERO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)c2cc(C)ccc2F)cc1C ZINC001715947887 1420415631 /nfs/dbraw/zinc/41/56/31/1420415631.db2.gz FDNAKTFEMHJCQX-OAHLLOKOSA-N 1 0 344.430 3.359 10 10 EGCERO COc1ccc(C[NH2+]C[C@H](C)NC(=O)C=C2CCCCC2)cc1C ZINC001715966876 1420431625 /nfs/dbraw/zinc/43/16/25/1420431625.db2.gz NAXWDYNRRIQEKT-INIZCTEOSA-N 1 0 330.472 3.488 10 10 EGCERO CN(CC[N@H+](C)CC1CCCC1)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001716021828 1420476437 /nfs/dbraw/zinc/47/64/37/1420476437.db2.gz AQGQIJWCVBRPCC-UHFFFAOYSA-N 1 0 345.447 3.043 10 10 EGCERO COc1ccc(C[NH2+]C[C@@H](NC(=O)[C@@H]2CC=CCC2)C2CC2)cc1C ZINC001716605074 1420772922 /nfs/dbraw/zinc/77/29/22/1420772922.db2.gz QHYCMBWGUWQSKO-RTBURBONSA-N 1 0 342.483 3.344 10 10 EGCERO C=C/C(C)=C/CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001731451567 1427428063 /nfs/dbraw/zinc/42/80/63/1427428063.db2.gz PTSYKSCHGCFXLP-SCRGCVCUSA-N 1 0 328.456 3.263 10 10 EGCERO CCN(C)c1ccc(C[NH2+][C@@](C)(CO)Cc2ccccc2F)cc1 ZINC001620624547 1126241811 /nfs/dbraw/zinc/24/18/11/1126241811.db2.gz ZKOHKLNFPIOGNO-HXUWFJFHSA-N 1 0 330.447 3.365 10 10 EGCERO Cc1cc(/C=C2/SC(=S)N(CC[NH+](C)C)C2=O)c(C)n1C1CC1 ZINC000032873863 202238540 /nfs/dbraw/zinc/23/85/40/202238540.db2.gz JTBZCUNNMPFQMU-XNTDXEJSSA-N 1 0 349.525 3.203 10 10 EGCERO CC[C@H]([NH2+]C1CCC(O)CC1)c1cc(Br)ccc1O ZINC000019918814 212083441 /nfs/dbraw/zinc/08/34/41/212083441.db2.gz HIZWJDZPKYNJNT-YIZWMMSDSA-N 1 0 328.250 3.499 10 10 EGCERO Cc1ccc([C@@H](C[NH2+][C@H](C)c2ccccc2O)N2CCOCC2)s1 ZINC000183597586 455310382 /nfs/dbraw/zinc/31/03/82/455310382.db2.gz VJAJVWVLKQNUSK-NVXWUHKLSA-N 1 0 346.496 3.486 10 10 EGCERO COc1ccc(C[NH2+]Cc2cccc(N3CCOC3=O)c2)cc1C ZINC000066974137 453891364 /nfs/dbraw/zinc/89/13/64/453891364.db2.gz QFMRRONTTJVERW-UHFFFAOYSA-N 1 0 326.396 3.250 10 10 EGCERO c1csc(SCCC[NH2+]C2CCN(c3ccccn3)CC2)n1 ZINC000095968170 454242844 /nfs/dbraw/zinc/24/28/44/454242844.db2.gz QRLSHQHAGZBASR-UHFFFAOYSA-N 1 0 334.514 3.279 10 10 EGCERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000176978196 454807227 /nfs/dbraw/zinc/80/72/27/454807227.db2.gz CZVQYFROUOZJGG-KRWDZBQOSA-N 1 0 340.471 3.045 10 10 EGCERO [O-]c1ccc(Cl)c(F)c1CN1CCO[C@@H](c2cccc(O)c2)C1 ZINC000191371802 455480982 /nfs/dbraw/zinc/48/09/82/455480982.db2.gz AFLXAGGFMXEHOH-MRXNPFEDSA-N 1 0 337.778 3.464 10 10 EGCERO COc1cc(O)c(C[N@@H+]2CCC[C@H]2c2c(C)nn(C)c2C)cc1OC ZINC000180136089 455137999 /nfs/dbraw/zinc/13/79/99/455137999.db2.gz KFNHBJKGPUFOQM-HNNXBMFYSA-N 1 0 345.443 3.097 10 10 EGCERO CCC[N@H+](Cc1cc(-c2cnn(C)c2)no1)Cc1ccccc1O ZINC000185014151 455487137 /nfs/dbraw/zinc/48/71/37/455487137.db2.gz RCZUCUOYMHXVIE-UHFFFAOYSA-N 1 0 326.400 3.193 10 10 EGCERO C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1O)c1ccc(S(C)(=O)=O)cc1 ZINC000185171102 455515689 /nfs/dbraw/zinc/51/56/89/455515689.db2.gz OVIVKIXVYSPTKA-NEPJUHHUSA-N 1 0 337.416 3.347 10 10 EGCERO C[C@H]([NH2+][C@@H]1Cc2ccccc2[C@@H]1O)c1cc(Br)ccc1O ZINC000185465571 455561807 /nfs/dbraw/zinc/56/18/07/455561807.db2.gz NBSQGBKEOAUEIL-FGDXXIHYSA-N 1 0 348.240 3.464 10 10 EGCERO C[C@H]([NH2+][C@H]1CCCC[C@@H]1CO)c1ccc(Br)cc1O ZINC000185507822 455570292 /nfs/dbraw/zinc/57/02/92/455570292.db2.gz HHEDYKSKSGAKBV-WDMOLILDSA-N 1 0 328.250 3.356 10 10 EGCERO COc1ccc(O)c([C@@H](C)[NH2+]C2CCN(c3ccc(C)cn3)CC2)c1 ZINC000185539517 455575505 /nfs/dbraw/zinc/57/55/05/455575505.db2.gz ZTWXAPQZDGWCNJ-OAHLLOKOSA-N 1 0 341.455 3.424 10 10 EGCERO CO[C@@H]1CC[C@H]2OCCN(Cc3cc(Cl)cc(Cl)c3[O-])[C@H]2C1 ZINC000247283656 455582725 /nfs/dbraw/zinc/58/27/25/455582725.db2.gz YRZGREUQBZNRML-VHDGCEQUSA-N 1 0 346.254 3.467 10 10 EGCERO CCc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1cc3c(cc1O)CCCC3)CC2 ZINC000185995669 455671025 /nfs/dbraw/zinc/67/10/25/455671025.db2.gz HUDPRURTVVIYRD-BBRMVZONSA-N 1 0 340.471 3.091 10 10 EGCERO Cc1nocc1C[NH2+]Cc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000293733945 455796175 /nfs/dbraw/zinc/79/61/75/455796175.db2.gz ZMXUPBWJLJFYIB-CHWSQXEVSA-N 1 0 333.407 3.026 10 10 EGCERO Cc1cc(Cl)cc(C[NH2+][C@H]2CCN(Cc3ccccc3)C2=O)c1O ZINC000271889070 455798631 /nfs/dbraw/zinc/79/86/31/455798631.db2.gz RLCYBZUYSMQZCR-KRWDZBQOSA-N 1 0 344.842 3.245 10 10 EGCERO Cc1cccnc1CC[NH2+]Cc1cc(Br)cc(C)c1O ZINC000294706914 455825372 /nfs/dbraw/zinc/82/53/72/455825372.db2.gz BQXIYZJUMNIIFZ-UHFFFAOYSA-N 1 0 335.245 3.499 10 10 EGCERO CC[C@H]([NH2+][C@H]1CCCN(c2cc(C)nn2C)C1)c1ccccc1O ZINC000278416076 455835315 /nfs/dbraw/zinc/83/53/15/455835315.db2.gz IEADKOFDYDMSJA-RDJZCZTQSA-N 1 0 328.460 3.144 10 10 EGCERO CC[C@@H]([NH2+][C@H]1CCCN(c2cc(C)nn2C)C1)c1ccc(C)cc1O ZINC000280058371 455882811 /nfs/dbraw/zinc/88/28/11/455882811.db2.gz KDWAJIAWLPPOED-FUHWJXTLSA-N 1 0 342.487 3.452 10 10 EGCERO Oc1ccc(-c2ccccc2)cc1C[N@@H+]1CCO[C@]2(CCCOC2)C1 ZINC000289575627 456130829 /nfs/dbraw/zinc/13/08/29/456130829.db2.gz SUUWQPBRPULOGY-OAQYLSRUSA-N 1 0 339.435 3.441 10 10 EGCERO Cc1cc(Cl)cc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H](CO)C2)c1O ZINC000289593699 456132291 /nfs/dbraw/zinc/13/22/91/456132291.db2.gz KMVDSYWRNLIWGN-YPMHNXCESA-N 1 0 337.769 3.347 10 10 EGCERO Oc1ccc(-c2ccccc2)cc1C[N@@H+]1CCO[C@]2(CCOC2)C1 ZINC000274406281 456258002 /nfs/dbraw/zinc/25/80/02/456258002.db2.gz HZOPVDGTPBVKEY-HXUWFJFHSA-N 1 0 325.408 3.051 10 10 EGCERO CCOC(=O)c1csc(CC[NH2+]Cc2c(O)cccc2Cl)n1 ZINC000276223343 456418046 /nfs/dbraw/zinc/41/80/46/456418046.db2.gz NFQPWMPRLAEOCC-UHFFFAOYSA-N 1 0 340.832 3.011 10 10 EGCERO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NC2(C)CCC2)C1 ZINC000444332784 457888099 /nfs/dbraw/zinc/88/80/99/457888099.db2.gz UYWADQBHAGTCHK-UHFFFAOYSA-N 1 0 339.483 3.467 10 10 EGCERO CCC1(NC(=O)Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)CC1 ZINC000452463666 458501116 /nfs/dbraw/zinc/50/11/16/458501116.db2.gz PYIYZHKYSRWROK-UHFFFAOYSA-N 1 0 339.483 3.467 10 10 EGCERO CC[N@@H+]1CC[C@H](CNC(=O)c2sccc2-n2c(C)ccc2C)C1 ZINC000729626673 574874460 /nfs/dbraw/zinc/87/44/60/574874460.db2.gz GGQKGONEKWHJBX-OAHLLOKOSA-N 1 0 331.485 3.227 10 10 EGCERO CCCN(CCC)c1ccc(C[NH2+][C@@H]2CC(=O)N([C@@H]3C[C@H]3C)C2)cc1 ZINC000742392570 576778669 /nfs/dbraw/zinc/77/86/69/576778669.db2.gz QVQVALAFDWTTBT-YVWKXTFCSA-N 1 0 343.515 3.412 10 10 EGCERO Cc1ccc(O)c(C[N@@H+](C)[C@@H]2CCN(c3ccccc3F)C2=O)c1 ZINC000093385609 1292919186 /nfs/dbraw/zinc/91/91/86/1292919186.db2.gz OQPSVONDDFEUCR-QGZVFWFLSA-N 1 0 328.387 3.077 10 10 EGCERO Cc1cc([C@@H]([NH3+])CC(=O)N[C@H](C)c2ccccc2O)cc(Cl)n1 ZINC000870988222 1296165347 /nfs/dbraw/zinc/16/53/47/1296165347.db2.gz JFEXPLCSWUUMRR-RISCZKNCSA-N 1 0 333.819 3.016 10 10 EGCERO Oc1cccc(Br)c1CN1CC[NH+](C2CCCC2)CC1 ZINC000707141274 1298226060 /nfs/dbraw/zinc/22/60/60/1298226060.db2.gz XHLIGSLBCUVRIM-UHFFFAOYSA-N 1 0 339.277 3.215 10 10 EGCERO COC(=O)c1c(C[NH2+]CCCCSC)c2cc(F)ccc2n1C ZINC000894282633 1306320405 /nfs/dbraw/zinc/32/04/05/1306320405.db2.gz AWJQGBVQPHEIOX-UHFFFAOYSA-N 1 0 338.448 3.337 10 10 EGCERO COC(=O)c1c(C[NH2+][C@@H]2CCC(F)(F)C2)c2cc(F)ccc2n1C ZINC000894349873 1306355251 /nfs/dbraw/zinc/35/52/51/1306355251.db2.gz IVRDXGWKSJKYKZ-LLVKDONJSA-N 1 0 340.345 3.381 10 10 EGCERO COc1cc(C)cc(C[NH2+][C@@H]2CCN(C)[C@@H]2c2ccccc2)c1O ZINC000894368794 1306362732 /nfs/dbraw/zinc/36/27/32/1306362732.db2.gz VGHDJHNCWGJQCP-IEBWSBKVSA-N 1 0 326.440 3.244 10 10 EGCERO COc1cc(C)cc(C[N@@H+]2CC[C@@H](Oc3ccc(C)cn3)C2)c1O ZINC000895403841 1309318177 /nfs/dbraw/zinc/31/81/77/1309318177.db2.gz BIBRGZSGNFUORK-MRXNPFEDSA-N 1 0 328.412 3.066 10 10 EGCERO Cc1cc(N(C)C)ccc1C[NH2+]C[C@@H]1CC[C@]2(CO[C@@H](C)[C@@H]2C)O1 ZINC000895818779 1309535096 /nfs/dbraw/zinc/53/50/96/1309535096.db2.gz FTPBOLKWQFICBY-CPLUKWAASA-N 1 0 332.488 3.123 10 10 EGCERO CCCC[NH+]1CCC(NC(=O)c2cc3cc(O)c(O)cc3s2)CC1 ZINC000895924403 1309593373 /nfs/dbraw/zinc/59/33/73/1309593373.db2.gz RDWWKZQMEZLHDW-UHFFFAOYSA-N 1 0 348.468 3.307 10 10 EGCERO Oc1ccccc1C[NH2+]C[C@H]1CN(c2ccc(Cl)cc2)CCO1 ZINC000858245907 1328721073 /nfs/dbraw/zinc/72/10/73/1328721073.db2.gz YHMSHPYXZJOAEK-KRWDZBQOSA-N 1 0 332.831 3.041 10 10 EGCERO C[C@H]([NH2+]C[C@H](O)[C@H]1CCCO1)c1ccc(N2CCCCC2)c(F)c1 ZINC000858468626 1328770198 /nfs/dbraw/zinc/77/01/98/1328770198.db2.gz KFOARMRWJGNXDA-ZOCIIQOWSA-N 1 0 336.451 3.007 10 10 EGCERO CC[C@@H]([NH2+][C@@H]1CCO[C@@H]1c1nc(C)no1)c1cc(Cl)ccc1O ZINC000858591853 1328804343 /nfs/dbraw/zinc/80/43/43/1328804343.db2.gz LUTNQSBMMPUVJY-NFAWXSAZSA-N 1 0 337.807 3.308 10 10 EGCERO COc1ccc(O)c([C@@H](C)[NH2+]C[C@](C)(O)C(F)(F)C(F)(F)F)c1 ZINC000930217217 1328813861 /nfs/dbraw/zinc/81/38/61/1328813861.db2.gz TYGWSOFZTWKDJS-PELKAZGASA-N 1 0 343.292 3.000 10 10 EGCERO CCCCNC(=O)C1CC[NH+](Cc2cc3c(cc2O)CCC3)CC1 ZINC000915207179 1319443135 /nfs/dbraw/zinc/44/31/35/1319443135.db2.gz IYFGPRACNHOGPJ-UHFFFAOYSA-N 1 0 330.472 3.009 10 10 EGCERO C[C@H](c1ccccc1)[N@H+](CCc1cn(C)nn1)Cc1ccccc1O ZINC000859219501 1328950230 /nfs/dbraw/zinc/95/02/30/1328950230.db2.gz ZWSCUTCXBDOVJA-MRXNPFEDSA-N 1 0 336.439 3.327 10 10 EGCERO CC[N@@H+](Cc1c(O)c(C(=O)OC)cc2ccccc21)C[C@@H]1CCCO1 ZINC000919948704 1322121006 /nfs/dbraw/zinc/12/10/06/1322121006.db2.gz XTCMQABKWVEPCU-HNNXBMFYSA-N 1 0 343.423 3.333 10 10 EGCERO CC(C)n1ncc2c1C[C@H]([NH2+]Cc1ccc3c(c1)CCCO3)CC2 ZINC000922048139 1322444280 /nfs/dbraw/zinc/44/42/80/1322444280.db2.gz CHAIEYYRLNGWJC-GOSISDBHSA-N 1 0 325.456 3.436 10 10 EGCERO CCc1[nH]nc(Cl)c1C[NH2+][C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000922238448 1322485572 /nfs/dbraw/zinc/48/55/72/1322485572.db2.gz SVYAOGNPFUCBEM-LBPRGKRZSA-N 1 0 334.851 3.003 10 10 EGCERO C[NH+](C)CCc1ccccc1NC(=O)NCc1cccc(Cl)c1O ZINC000931022249 1329030510 /nfs/dbraw/zinc/03/05/10/1329030510.db2.gz NSAZRKFBNHUTGP-UHFFFAOYSA-N 1 0 347.846 3.471 10 10 EGCERO CCc1noc([C@@H]2CC[C@H]([NH2+]Cc3ccc(N(C)C)c(F)c3)C2)n1 ZINC000922865876 1322635946 /nfs/dbraw/zinc/63/59/46/1322635946.db2.gz LEANDWCSGPXYGU-KGLIPLIRSA-N 1 0 332.423 3.263 10 10 EGCERO c1cc(N2CCCCC2)ccc1C[NH2+]C[C@@H]1CCN1C1CCOCC1 ZINC000922951417 1322657970 /nfs/dbraw/zinc/65/79/70/1322657970.db2.gz NYOCYGABHCLOHZ-NRFANRHFSA-N 1 0 343.515 3.020 10 10 EGCERO CCCOc1ccc(C[NH2+]C[C@@H]2CCN2C2CCOCC2)cc1C ZINC000922956452 1322661137 /nfs/dbraw/zinc/66/11/37/1322661137.db2.gz SGILIXFSHFJJGD-IBGZPJMESA-N 1 0 332.488 3.127 10 10 EGCERO COc1ccc(C[NH2+]C2([C@@H]3CCCCO3)CC2)cc1Cn1cccn1 ZINC000923028509 1322678372 /nfs/dbraw/zinc/67/83/72/1322678372.db2.gz QGJKAUUMLVUSRO-IBGZPJMESA-N 1 0 341.455 3.131 10 10 EGCERO C[C@H]([NH2+]Cc1ccc(N2CCC(CO)CC2)cc1)c1ccns1 ZINC000924761917 1323149908 /nfs/dbraw/zinc/14/99/08/1323149908.db2.gz XFCXASZSQCDIGR-AWEZNQCLSA-N 1 0 331.485 3.203 10 10 EGCERO C[C@H](N[C@H]1C[NH2+]CC2(CCOCC2)C1)c1cc2c(cc1O)CCCC2 ZINC000925795389 1325304329 /nfs/dbraw/zinc/30/43/29/1325304329.db2.gz XOKRVTPBJQXTOW-MAUKXSAKSA-N 1 0 344.499 3.080 10 10 EGCERO C[C@@H]([NH2+][C@H]1C[C@@](C[NH3+])(c2ccccc2)C1)c1cc(F)cc(F)c1[O-] ZINC000925887221 1325344531 /nfs/dbraw/zinc/34/45/31/1325344531.db2.gz VRLWBZYVGLWYKC-PEELUZDISA-N 1 0 332.394 3.380 10 10 EGCERO Cc1c(C[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)ccnc1F ZINC000862275146 1329473301 /nfs/dbraw/zinc/47/33/01/1329473301.db2.gz LYGUPJNKOQEXAD-OAHLLOKOSA-N 1 0 329.419 3.217 10 10 EGCERO C[C@@]1(C[NH2+]Cc2cc(F)c(N3CCOCC3)c(F)c2)CCCS1 ZINC000862392550 1329482087 /nfs/dbraw/zinc/48/20/87/1329482087.db2.gz MVBIRACOOLOYEL-KRWDZBQOSA-N 1 0 342.455 3.177 10 10 EGCERO Cc1ccc(O)c(C[NH+]2CCN(Cc3cc4ccccc4[nH]3)CC2)c1 ZINC000862535250 1329493461 /nfs/dbraw/zinc/49/34/61/1329493461.db2.gz YTBYANFKLKZTNF-UHFFFAOYSA-N 1 0 335.451 3.500 10 10 EGCERO CCc1cc(C[N@@H+]2CC[C@](OC)(C(=O)OC)C2)c(O)c(C(C)(C)C)c1 ZINC000863297309 1329544635 /nfs/dbraw/zinc/54/46/35/1329544635.db2.gz SDCGRCSUDAKVSG-HXUWFJFHSA-N 1 0 349.471 3.016 10 10 EGCERO Cc1cc(Cl)cc(CN2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1O ZINC000863646360 1329570049 /nfs/dbraw/zinc/57/00/49/1329570049.db2.gz RWKGDZGPWUONRF-AAEUAGOBSA-N 1 0 336.785 3.313 10 10 EGCERO COc1cc(Br)cc([C@H](C)[NH2+][C@@H]2C[C@H](C)O[C@H]2C)c1O ZINC000866447084 1330113549 /nfs/dbraw/zinc/11/35/49/1330113549.db2.gz HMLFPJJDVFKJAM-AVWBDOJWSA-N 1 0 344.249 3.380 10 10 EGCERO CCOC(=O)c1cc(C[NH2+][C@H]2C[C@@H](C)c3c2c(O)ccc3F)on1 ZINC000866515235 1330120545 /nfs/dbraw/zinc/12/05/45/1330120545.db2.gz DTABZOGOXAGCOZ-SKDRFNHKSA-N 1 0 334.347 3.034 10 10 EGCERO COc1cc(Br)cc([C@@H](C)[NH2+][C@@H]2CCCC[C@@H]2O)c1O ZINC000866639884 1330136845 /nfs/dbraw/zinc/13/68/45/1330136845.db2.gz YJGCZCAKYLIHSW-WQAKAFBOSA-N 1 0 344.249 3.117 10 10 EGCERO COc1ccc(C[NH2+]C[C@H](NC(=O)CC2(C)CC2)C2CC2)cc1C ZINC001323034186 1387271098 /nfs/dbraw/zinc/27/10/98/1387271098.db2.gz BRQCAVUOELKQOJ-KRWDZBQOSA-N 1 0 330.472 3.178 10 10 EGCERO COc1ccc(C[NH2+]C[C@@H](NC(=O)[C@H]2CC23CCC3)C2CC2)cc1C ZINC001323078498 1387284317 /nfs/dbraw/zinc/28/43/17/1387284317.db2.gz TVSIVHXIZSDKSA-QZTJIDSGSA-N 1 0 342.483 3.178 10 10 EGCERO C=C/C(C)=C/CC(=O)NCC1([NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC001323515662 1387379542 /nfs/dbraw/zinc/37/95/42/1387379542.db2.gz CSACULCMQNCOJY-GIDUJCDVSA-N 1 0 328.456 3.264 10 10 EGCERO c1cc(N2CCOCC2)ccc1C[N@@H+]1CCCC[C@H]1[C@H]1CCCO1 ZINC001198685544 1369091290 /nfs/dbraw/zinc/09/12/90/1369091290.db2.gz MJKLJDFMGXBNGH-VQTJNVASSA-N 1 0 330.472 3.057 10 10 EGCERO CO[C@@H](CC[NH2+]Cc1cc(F)c(N(C)C)cc1F)C(F)(F)F ZINC001118908727 1371248244 /nfs/dbraw/zinc/24/82/44/1371248244.db2.gz JOUYBPOUMGVOLV-ZDUSSCGKSA-N 1 0 326.309 3.088 10 10 EGCERO COc1cc(C[NH2+]CCc2ccc(OC)nc2)c(O)c(C(C)(C)C)c1 ZINC001328789966 1388865242 /nfs/dbraw/zinc/86/52/42/1388865242.db2.gz YHYUBXDVENZYPU-UHFFFAOYSA-N 1 0 344.455 3.434 10 10 EGCERO Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N[C@@H]1C[N@@H+](C)CC1(C)C ZINC001303989990 1383819702 /nfs/dbraw/zinc/81/97/02/1383819702.db2.gz VHWDEZKXKFROBO-LJQANCHMSA-N 1 0 339.483 3.473 10 10 EGCERO COc1ccc(C[NH2+][C@H]2C[C@H](CNC(=O)C[C@@H]3C=CCC3)C2)cc1C ZINC001316627029 1384491922 /nfs/dbraw/zinc/49/19/22/1384491922.db2.gz RSTKGFCYJMLJAC-BHIYHBOVSA-N 1 0 342.483 3.344 10 10 EGCERO COc1ccc(C[NH2+]C[C@H](CC(C)C)NC(=O)C2(C)CC2)cc1C ZINC001319620760 1386213790 /nfs/dbraw/zinc/21/37/90/1386213790.db2.gz SVUZODBCRHBBAW-KRWDZBQOSA-N 1 0 332.488 3.424 10 10 EGCERO COc1ccc(C[NH2+]C/C=C\CNC(=O)c2cc(C)cs2)cc1C ZINC001321051759 1386795311 /nfs/dbraw/zinc/79/53/11/1386795311.db2.gz BGACXXHVQVDBSW-PLNGDYQASA-N 1 0 344.480 3.449 10 10 EGCERO COc1ccc(C[NH2+]CCCN(C)C(=O)c2cc(C)sn2)cc1C ZINC001322483866 1387194252 /nfs/dbraw/zinc/19/42/52/1387194252.db2.gz TZTYBYIYMNFWHR-UHFFFAOYSA-N 1 0 347.484 3.020 10 10 EGCERO Cc1cc(CC[NH2+]CC(C)(C)S(C)(=O)=O)c(C)n1-c1ccccc1 ZINC001331257019 1389670817 /nfs/dbraw/zinc/67/08/17/1389670817.db2.gz ZGTHESCDLICNCG-UHFFFAOYSA-N 1 0 348.512 3.049 10 10 EGCERO COc1ccc(C[NH2+][C@H](C)CCNC(=O)[C@]23C[C@H]2CCC3)cc1C ZINC001480780004 1392928817 /nfs/dbraw/zinc/92/88/17/1392928817.db2.gz BZOJUTFAGSCJOC-WRWLIDTKSA-N 1 0 330.472 3.178 10 10 EGCERO C/C=C(/C)C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001691577618 1405344553 /nfs/dbraw/zinc/34/45/53/1405344553.db2.gz ULZYNVXIKBMXNE-LDBCDMEOSA-N 1 0 330.472 3.344 10 10 EGCERO COc1ccc(C[NH2+]CC2CC(NC(=O)[C@@H](C)C(C)C)C2)cc1C ZINC001700379335 1413906674 /nfs/dbraw/zinc/90/66/74/1413906674.db2.gz UXCNJZSDRBJVDL-ZLPCBKJTSA-N 1 0 332.488 3.280 10 10 EGCERO COc1ccc(C[NH2+]CCC[C@H](C)NC(=O)c2cc[nH]c2C)cc1C ZINC001700652859 1414315400 /nfs/dbraw/zinc/31/54/00/1414315400.db2.gz IZSPWWHVJAGTEX-HNNXBMFYSA-N 1 0 343.471 3.328 10 10 EGCERO COc1ccc(C[NH2+]C[C@H](C)NC(=O)C[C@@H](C)n2cccc2)cc1C ZINC001733020985 1429139652 /nfs/dbraw/zinc/13/96/52/1429139652.db2.gz WIBCHFZEXOOEMJ-DLBZAZTESA-N 1 0 343.471 3.051 10 10 EGCERO COc1ccc(C[NH2+]C[C@H](C)NC(=O)c2c(C)cccc2F)cc1C ZINC001733025728 1429144506 /nfs/dbraw/zinc/14/45/06/1429144506.db2.gz KZGLIKJPEUQCIU-HNNXBMFYSA-N 1 0 344.430 3.359 10 10 EGCERO COc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)C(C)(C)F)C2)cc1C ZINC001707099974 1417201264 /nfs/dbraw/zinc/20/12/64/1417201264.db2.gz SNNINBBOVCRJRR-JKSUJKDBSA-N 1 0 336.451 3.126 10 10 EGCERO CCC1(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(OC)c(C)c3)C2)CCC1 ZINC001714001907 1418781849 /nfs/dbraw/zinc/78/18/49/1418781849.db2.gz IFOHPCLPYPATIA-CALCHBBNSA-N 1 0 330.472 3.321 10 10 EGCERO COc1ccc(C[NH2+]CCN(C)C(=O)c2c[nH]cc2C2CC2)cc1C ZINC001714777835 1419504385 /nfs/dbraw/zinc/50/43/85/1419504385.db2.gz GFSNNMAOYBPPLG-UHFFFAOYSA-N 1 0 341.455 3.071 10 10 EGCERO COc1ccc(C[NH2+][C@@H](CNC(=O)c2cscn2)C(C)C)cc1C ZINC001715487558 1420169056 /nfs/dbraw/zinc/16/90/56/1420169056.db2.gz HGZXBEZLDSEWMQ-HNNXBMFYSA-N 1 0 347.484 3.004 10 10 EGCERO COc1ccc(C[NH2+]C[C@H](C)NC(=O)C(C)(C)C2CCC2)cc1C ZINC001715987064 1420444886 /nfs/dbraw/zinc/44/48/86/1420444886.db2.gz ORFXBXDEUOQJNR-HNNXBMFYSA-N 1 0 332.488 3.424 10 10 EGCERO COc1ccc(C[NH2+]C[C@@H](NC(=O)/C=C(/C)C2CC2)C2CC2)cc1C ZINC001716605158 1420773117 /nfs/dbraw/zinc/77/31/17/1420773117.db2.gz RFELNODNDZJSQR-KWRJMZDGSA-N 1 0 342.483 3.344 10 10 EGCERO CCC(C)(C)C(=O)N[C@H](C[NH2+]Cc1ccc(OC)c(C)c1)C1CC1 ZINC001716620578 1420782836 /nfs/dbraw/zinc/78/28/36/1420782836.db2.gz SUBRIHMRRONBPO-QGZVFWFLSA-N 1 0 332.488 3.424 10 10 EGCERO CCCCC[N@@H+]1CC[C@](C)(NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001716853666 1420984937 /nfs/dbraw/zinc/98/49/37/1420984937.db2.gz GCNISJZOYWLRPR-SFHVURJKSA-N 1 0 345.447 3.233 10 10 EGCERO COc1ccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)C2(CCF)CC2)cc1C ZINC001733986892 1437783059 /nfs/dbraw/zinc/78/30/59/1437783059.db2.gz YTSANGRANBMVTB-LSDHHAIUSA-N 1 0 336.451 3.126 10 10 EGCERO CCOc1cccc(C[NH2+][C@@H](C)c2ccc(-n3cncn3)cc2)c1O ZINC000069518084 203012657 /nfs/dbraw/zinc/01/26/57/203012657.db2.gz XYHADIVLDJYWLO-AWEZNQCLSA-N 1 0 338.411 3.222 10 10 EGCERO CCOc1cccc(C[NH2+]Cc2ccc(Cn3cccn3)cc2)c1O ZINC000069532789 203016507 /nfs/dbraw/zinc/01/65/07/203016507.db2.gz HWCRBJOKFBYSGF-UHFFFAOYSA-N 1 0 337.423 3.326 10 10 EGCERO NC(=O)c1ccc(Nc2c3ccc(N)cc3[nH+]c3cc(N)ccc32)cc1 ZINC000013601079 453475208 /nfs/dbraw/zinc/47/52/08/453475208.db2.gz RQHBBZVAGTVCHP-UHFFFAOYSA-N 1 0 343.390 3.395 10 10 EGCERO CN(C)c1ccc(C[NH+]2CCC(c3nnc4ccccn43)CC2)cc1 ZINC000120885398 454360074 /nfs/dbraw/zinc/36/00/74/454360074.db2.gz ILBKZGSBCKBUJE-UHFFFAOYSA-N 1 0 335.455 3.175 10 10 EGCERO CCOc1cccc(C[N@@H+]2CCC[C@@H](n3ccnc3CC)C2)c1O ZINC000122882419 454578975 /nfs/dbraw/zinc/57/89/75/454578975.db2.gz UBJWWGNSSLHJMM-MRXNPFEDSA-N 1 0 329.444 3.387 10 10 EGCERO c1csc([C@H]2CCC[N@@H+](Cc3ccc(N4CCOCC4)cc3)C2)n1 ZINC000092788672 454633547 /nfs/dbraw/zinc/63/35/47/454633547.db2.gz XQTXLWGVPFVGSW-KRWDZBQOSA-N 1 0 343.496 3.359 10 10 EGCERO CCOc1ccc(O)c(C[NH2+]CCCc2nc3ccccc3n2C)c1 ZINC000124375426 454726139 /nfs/dbraw/zinc/72/61/39/454726139.db2.gz AAMAIBAJOWLAOK-UHFFFAOYSA-N 1 0 339.439 3.400 10 10 EGCERO COc1cc(O)c(C[N@@H+]2CC[C@@H](Nc3ccccc3)C2)cc1OC ZINC000179949999 455104131 /nfs/dbraw/zinc/10/41/31/455104131.db2.gz GRGYOCJFDKRTPG-MRXNPFEDSA-N 1 0 328.412 3.096 10 10 EGCERO CC(C)c1nnc2n1C[C@H]([NH2+][C@H](C)c1ccc(N(C)C)cc1)CC2 ZINC000180513938 455186885 /nfs/dbraw/zinc/18/68/85/455186885.db2.gz IXCMRYTUUBDXTE-GDBMZVCRSA-N 1 0 327.476 3.133 10 10 EGCERO CCOC(=O)c1csc(CC[NH2+][C@@H](C)c2cc(C)ccc2O)n1 ZINC000191559455 455497123 /nfs/dbraw/zinc/49/71/23/455497123.db2.gz JYUHLRWZZSIVOC-LBPRGKRZSA-N 1 0 334.441 3.227 10 10 EGCERO COc1ccc(O)c([C@H](C)[NH2+]C2CCN(c3cccc(C)n3)CC2)c1 ZINC000185477780 455564139 /nfs/dbraw/zinc/56/41/39/455564139.db2.gz VRRJAFAGOJGFPI-HNNXBMFYSA-N 1 0 341.455 3.424 10 10 EGCERO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCN(C(=O)C3CCCCC3)C2)c1 ZINC000185762926 455616905 /nfs/dbraw/zinc/61/69/05/455616905.db2.gz KRVDSNMIRINWDT-GOEBONIOSA-N 1 0 346.471 3.233 10 10 EGCERO C[C@H]1COCC[C@H]1[NH2+]Cc1ccc(OCc2ccccc2)cc1O ZINC000277621887 455617499 /nfs/dbraw/zinc/61/74/99/455617499.db2.gz XEYICNNPJMSUMY-HNAYVOBHSA-N 1 0 327.424 3.486 10 10 EGCERO C[C@@H]([NH2+][C@@H]1CCCN(c2cccnn2)C1)c1cc(Cl)ccc1O ZINC000186050636 455684576 /nfs/dbraw/zinc/68/45/76/455684576.db2.gz DEKFMEIZWHCRRI-TZMCWYRMSA-N 1 0 332.835 3.155 10 10 EGCERO Cc1cc(C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c(C)n1-c1ccc(F)cc1 ZINC000248631809 455722847 /nfs/dbraw/zinc/72/28/47/455722847.db2.gz PGWNVXSYHURZKQ-JVPBZIDWSA-N 1 0 341.430 3.043 10 10 EGCERO CC[C@@H]([NH2+][C@@H]1CCCN(c2cc(C)nn2C)C1)c1ccccc1O ZINC000278416071 455835299 /nfs/dbraw/zinc/83/52/99/455835299.db2.gz IEADKOFDYDMSJA-NVXWUHKLSA-N 1 0 328.460 3.144 10 10 EGCERO Cc1cc(N2CCC[C@H]([NH2+][C@H](C)c3cc(Cl)ccc3O)C2)n(C)n1 ZINC000278480681 455837182 /nfs/dbraw/zinc/83/71/82/455837182.db2.gz OSPWJZXILRKXMK-HIFRSBDPSA-N 1 0 348.878 3.407 10 10 EGCERO Cc1cc(N2CCC[C@H]([NH2+][C@H](C)c3ccc(C)c(C)c3O)C2)n(C)n1 ZINC000278544437 455840298 /nfs/dbraw/zinc/84/02/98/455840298.db2.gz VFATYWCUYDXHAI-SJORKVTESA-N 1 0 342.487 3.371 10 10 EGCERO CCCN(CCC)c1ccc(C[N@@H+]2CC[C@]3(CNC(=O)C3)C2)cc1 ZINC000279330800 455862175 /nfs/dbraw/zinc/86/21/75/455862175.db2.gz DAUVUWIUOAKHKP-FQEVSTJZSA-N 1 0 329.488 3.025 10 10 EGCERO CC(C)n1ncnc1CN(C)Cc1ccc(N2CCCCC2)cc1 ZINC000279968844 455879631 /nfs/dbraw/zinc/87/96/31/455879631.db2.gz IWMNPZJPEKJMPS-UHFFFAOYSA-N 1 0 327.476 3.481 10 10 EGCERO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCN(Cc3ccc(F)cc3)C2=O)c(O)c1 ZINC000189035485 456206581 /nfs/dbraw/zinc/20/65/81/456206581.db2.gz SNPRZNJUFILJCX-RDTXWAMCSA-N 1 0 342.414 3.291 10 10 EGCERO C[C@@H]([NH2+][C@H]1CCN(Cc2ccc(F)cc2)C1=O)c1cc(F)ccc1O ZINC000189044648 456209768 /nfs/dbraw/zinc/20/97/68/456209768.db2.gz OVDPUHCWAKIUGI-PXAZEXFGSA-N 1 0 346.377 3.122 10 10 EGCERO C[C@H]([NH2+]Cc1ccc(F)c(C[NH+](C)C)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273461045 456232112 /nfs/dbraw/zinc/23/21/12/456232112.db2.gz CSXUYOFNLPFQQA-LBPRGKRZSA-N 1 0 347.390 3.352 10 10 EGCERO C[C@H]1CC(C[NH2+]Cc2cc(Br)ccc2O)C[C@H](C)O1 ZINC000282174045 456432680 /nfs/dbraw/zinc/43/26/80/456432680.db2.gz JLTBQLIYQNCRIW-QWRGUYRKSA-N 1 0 328.250 3.448 10 10 EGCERO Cn1cc2c(n1)CCC[C@H]2[NH2+]Cc1cc(Br)ccc1O ZINC000283012143 456690081 /nfs/dbraw/zinc/69/00/81/456690081.db2.gz OUVMMLXGVPBEPT-CYBMUJFWSA-N 1 0 336.233 3.055 10 10 EGCERO CCN(CC)c1ccc(C[NH2+][C@H]2CCO[C@]3(CCOC3)C2)cc1F ZINC000374268391 457555645 /nfs/dbraw/zinc/55/56/45/457555645.db2.gz GBMZRKFCRIKEDP-QFBILLFUSA-N 1 0 336.451 3.100 10 10 EGCERO CCOc1cccc(C[N@@H+]2CC[C@@H](OCc3c(C)noc3C)C2)c1O ZINC000370730504 457708845 /nfs/dbraw/zinc/70/88/45/457708845.db2.gz OOXQXEPISXOWDH-MRXNPFEDSA-N 1 0 346.427 3.187 10 10 EGCERO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NC[C@H]2C[C@H]2C)C1 ZINC000443942259 457827330 /nfs/dbraw/zinc/82/73/30/457827330.db2.gz JUQCLOUWUXNXOE-HZPDHXFCSA-N 1 0 339.483 3.180 10 10 EGCERO c1ccc(C2CC[NH+](Cc3ccc(N4CCOCC4)cc3)CC2)nc1 ZINC000367460597 457955975 /nfs/dbraw/zinc/95/59/75/457955975.db2.gz FFMXNQCXYKGNRU-UHFFFAOYSA-N 1 0 337.467 3.298 10 10 EGCERO Cc1cc(Cl)cc(C[N@@H+](C)C2CCN(c3cnccn3)CC2)c1O ZINC000369491310 458236026 /nfs/dbraw/zinc/23/60/26/458236026.db2.gz QXRFJZWLELPZGR-UHFFFAOYSA-N 1 0 346.862 3.245 10 10 EGCERO O=C([C@@H]1CC[C@H]([NH2+]Cc2cc(Cl)ccc2O)C1)N1CCCCC1 ZINC000369712014 458323004 /nfs/dbraw/zinc/32/30/04/458323004.db2.gz IYRGMNKOWPNXCR-CJNGLKHVSA-N 1 0 336.863 3.316 10 10 EGCERO C[C@@H](N[C@H]1CC[NH2+]C12CCC2)c1cc(Br)c(F)cc1[O-] ZINC000530215551 458720330 /nfs/dbraw/zinc/72/03/30/458720330.db2.gz HLXOSLXESGQWIF-OTYXRUKQSA-N 1 0 343.240 3.229 10 10 EGCERO Cc1cc(O)c(C[NH2+]C[C@H]2c3ccccc3C(=O)N2C)c(Cl)c1 ZINC000527805084 459741815 /nfs/dbraw/zinc/74/18/15/459741815.db2.gz CDQBDMZBFIOJGO-INIZCTEOSA-N 1 0 330.815 3.271 10 10 EGCERO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@]2(C)COc3ccccc3O2)c1 ZINC000527926913 459774546 /nfs/dbraw/zinc/77/45/46/459774546.db2.gz ADFSXPDARWQCSS-YJYMSZOUSA-N 1 0 329.396 3.282 10 10 EGCERO Oc1cc2c(cc1C[NH+]1CCC(c3nnc4ccccn43)CC1)CCC2 ZINC000732478577 575271831 /nfs/dbraw/zinc/27/18/31/575271831.db2.gz WSYGDAMJYDFVBH-UHFFFAOYSA-N 1 0 348.450 3.303 10 10 EGCERO Cn1ccnc1C[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)c1ccccc1 ZINC000742387053 576777610 /nfs/dbraw/zinc/77/76/10/576777610.db2.gz CWXYHBDWLLVUIF-LJQANCHMSA-N 1 0 333.435 3.429 10 10 EGCERO C[N@@H+](Cc1cc(Cl)cc(Br)c1[O-])CC1CC[NH2+]CC1 ZINC000708098290 1298234344 /nfs/dbraw/zinc/23/43/44/1298234344.db2.gz HBYSIASTDKJLIF-UHFFFAOYSA-N 1 0 347.684 3.240 10 10 EGCERO COc1ccc([C@H]2OCC[C@@H]2[NH2+][C@@H](C)c2cc(F)ccc2O)cn1 ZINC000585090398 1298028474 /nfs/dbraw/zinc/02/84/74/1298028474.db2.gz JCQIKWPIXCORTD-GEWABHDNSA-N 1 0 332.375 3.116 10 10 EGCERO CC1CCN(c2ccc(CNC(=O)N(C)CCC[NH+](C)C)cc2)CC1 ZINC000186072268 1295302738 /nfs/dbraw/zinc/30/27/38/1295302738.db2.gz FLMBTZINKHWETJ-UHFFFAOYSA-N 1 0 346.519 3.016 10 10 EGCERO COc1ccc2ccc(O)c(C[N@@H+]3CC[C@](O)(C(F)(F)F)C3)c2c1 ZINC000191420452 1295679513 /nfs/dbraw/zinc/67/95/13/1295679513.db2.gz OMPREJQRHYNHPY-MRXNPFEDSA-N 1 0 341.329 3.053 10 10 EGCERO Cc1cc(C(=O)NCC[C@@H]2CC[NH2+]C2)c(C)n1-c1ccc(Cl)cc1 ZINC000262562364 1296639633 /nfs/dbraw/zinc/63/96/33/1296639633.db2.gz AASYHIGQTNOSFD-HNNXBMFYSA-N 1 0 345.874 3.477 10 10 EGCERO CC[C@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1)[C@H]1CCCOC1 ZINC000872026322 1296672629 /nfs/dbraw/zinc/67/26/29/1296672629.db2.gz COEIEXQXZCTGPA-QRFRQXIXSA-N 1 0 332.488 3.379 10 10 EGCERO COc1ccc(C[NH+]2CCC(c3ccccn3)CC2)c(O)c1OC ZINC000891796202 1305168513 /nfs/dbraw/zinc/16/85/13/1305168513.db2.gz KACQILUKSPFNEB-UHFFFAOYSA-N 1 0 328.412 3.184 10 10 EGCERO COC(=O)c1c(C[NH2+]CC2(C)CCOCC2)c2cc(F)ccc2n1C ZINC000894318423 1306341143 /nfs/dbraw/zinc/34/11/43/1306341143.db2.gz YYNPFJYXFRHUJC-UHFFFAOYSA-N 1 0 348.418 3.010 10 10 EGCERO COC(=O)c1c(C[NH2+][C@@H]2CCOC(C)(C)C2)c2cc(F)ccc2n1C ZINC000894362010 1306360573 /nfs/dbraw/zinc/36/05/73/1306360573.db2.gz POGQUIRYTSLBMC-CYBMUJFWSA-N 1 0 348.418 3.151 10 10 EGCERO CN(C)c1ccc(/C=C\C[N@@H+]2CC[C@@](CO)(C(F)(F)F)C2)cc1 ZINC000895836936 1309547874 /nfs/dbraw/zinc/54/78/74/1309547874.db2.gz QHVJOUGKILDCHS-MJSXRHKHSA-N 1 0 328.378 3.013 10 10 EGCERO C[NH+](C)CC1CCC(NC(=O)c2cc3cc(O)c(O)cc3s2)CC1 ZINC000897158012 1310203219 /nfs/dbraw/zinc/20/32/19/1310203219.db2.gz UNTHRLIJKNHIGV-UHFFFAOYSA-N 1 0 348.468 3.163 10 10 EGCERO COc1ccc(C[NH2+]Cc2ccc3c(c2)CCO3)cc1OC1CC1 ZINC000858120855 1328688659 /nfs/dbraw/zinc/68/86/59/1328688659.db2.gz OOCYADKMGJLSFT-UHFFFAOYSA-N 1 0 325.408 3.461 10 10 EGCERO COc1ccc(CN2CC[C@@H]2C[NH2+]Cc2ccc(N(C)C)cc2)cc1 ZINC000858238268 1328719491 /nfs/dbraw/zinc/71/94/91/1328719491.db2.gz ROJRNPFQYSWYKO-HXUWFJFHSA-N 1 0 339.483 3.125 10 10 EGCERO C[C@@H]([NH2+][C@H]1CCN(C2CCC2)C1=O)c1cc2c(cc1O)CCCC2 ZINC000858602873 1328806683 /nfs/dbraw/zinc/80/66/83/1328806683.db2.gz LCYNNENLYOPOCB-ACJLOTCBSA-N 1 0 328.456 3.075 10 10 EGCERO CN(C)c1ccc(/C=C\C[NH2+]CC[C@H](N(C)C)C(F)(F)F)cc1 ZINC000922754991 1322610745 /nfs/dbraw/zinc/61/07/45/1322610745.db2.gz PSVLTQHYCZNTSL-KJPDOMRESA-N 1 0 329.410 3.238 10 10 EGCERO C[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1cc(O)cc(F)c1 ZINC000924751657 1323145749 /nfs/dbraw/zinc/14/57/49/1323145749.db2.gz TUWYXQGHTNJSOX-AWEZNQCLSA-N 1 0 330.403 3.219 10 10 EGCERO Cc1cc(Cl)cc([C@@H](C)N[C@H]2C[NH2+]CC3(CCOCC3)C2)c1O ZINC000925793233 1325303533 /nfs/dbraw/zinc/30/35/33/1325303533.db2.gz RHYIJKCSFWMMRM-UKRRQHHQSA-N 1 0 338.879 3.163 10 10 EGCERO COc1ccc(N2CC[C@H](C[NH2+]C3CC4(C3)CO[C@H](C)C4)C2)cc1 ZINC000926611328 1327634140 /nfs/dbraw/zinc/63/41/40/1327634140.db2.gz KLTLZADBSYAKMN-VPRUJKLYSA-N 1 0 330.472 3.069 10 10 EGCERO COc1ccc(N2CC[C@H](C[NH2+][C@H](C3CCC3)[C@@H]3CCOC3)C2)cc1 ZINC000926610394 1327634274 /nfs/dbraw/zinc/63/42/74/1327634274.db2.gz CZGVBGJLJVUISX-HGHGUNKESA-N 1 0 344.499 3.316 10 10 EGCERO CCc1onc(C)c1C[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000927139061 1327886300 /nfs/dbraw/zinc/88/63/00/1327886300.db2.gz FQIDXFBRRQYLES-ZDUSSCGKSA-N 1 0 347.434 3.372 10 10 EGCERO COC(=O)c1ccc(F)c2c1CN(Cc1cc(C)ccc1O)CC2 ZINC000862468782 1329489196 /nfs/dbraw/zinc/48/91/96/1329489196.db2.gz OLARONJVQXZBEP-UHFFFAOYSA-N 1 0 329.371 3.185 10 10 EGCERO c1csc(CC2C[NH+](Cc3ccc(N4CCOCC4)cc3)C2)c1 ZINC000862538067 1329493823 /nfs/dbraw/zinc/49/38/23/1329493823.db2.gz MAKHHDRORROLCS-UHFFFAOYSA-N 1 0 328.481 3.259 10 10 EGCERO CO[C@H]1C[C@@H](C[NH2+]Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC000862547587 1329495539 /nfs/dbraw/zinc/49/55/39/1329495539.db2.gz KCFVXGRCXIGIFR-UWUNEBHHSA-N 1 0 327.424 3.486 10 10 EGCERO Cc1cc(Br)cc([C@H](C)N[C@H]2CC[C@H](C)[NH2+]C2)c1O ZINC000863546611 1329562209 /nfs/dbraw/zinc/56/22/09/1329562209.db2.gz LQPKQFXOYMGJKJ-GVXVVHGQSA-N 1 0 327.266 3.254 10 10 EGCERO CN(C)c1ccc(CN[C@H]2CC[NH2+]C23CCC3)c(C(F)(F)F)c1 ZINC000863643755 1329570130 /nfs/dbraw/zinc/57/01/30/1329570130.db2.gz VNXPNAMVJYXTPX-HNNXBMFYSA-N 1 0 327.394 3.146 10 10 EGCERO CN(C)c1ccc(CN[C@@H]2CC[NH2+]C23CCC3)c(C(F)(F)F)c1 ZINC000863643756 1329570316 /nfs/dbraw/zinc/57/03/16/1329570316.db2.gz VNXPNAMVJYXTPX-OAHLLOKOSA-N 1 0 327.394 3.146 10 10 EGCERO CC[C@@H](C[C@@H](C)O)[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000865871014 1329747330 /nfs/dbraw/zinc/74/73/30/1329747330.db2.gz HRNCYAQNZFFXOQ-ZBFHGGJFSA-N 1 0 335.448 3.224 10 10 EGCERO C[C@H](CCc1cccnc1)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000866240898 1330084110 /nfs/dbraw/zinc/08/41/10/1330084110.db2.gz PWROQXTYYFSYKG-QGZVFWFLSA-N 1 0 325.456 3.029 10 10 EGCERO C[C@H]([NH2+][C@H]1C[C@H](S(=O)(=O)c2ccccc2)C1)c1cc(F)ccc1O ZINC000866516751 1330120993 /nfs/dbraw/zinc/12/09/93/1330120993.db2.gz HCNXEQNJJRBHLM-NOLJZWGESA-N 1 0 349.427 3.187 10 10 EGCERO C[C@@H](NC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1)c1ccccc1O ZINC000868449145 1330281870 /nfs/dbraw/zinc/28/18/70/1330281870.db2.gz UGGLLCPNMPFACG-BJZITVGISA-N 1 0 339.439 3.198 10 10 EGCERO C[C@H](NC(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1)c1ccccc1O ZINC000868777190 1330341417 /nfs/dbraw/zinc/34/14/17/1330341417.db2.gz UMZIOUIYYNTGJB-GJZGRUSLSA-N 1 0 331.460 3.159 10 10 EGCERO COc1ccc(C[NH2+]C2(CNC(=O)C3CC(C)(C)C3)CC2)cc1C ZINC001323436723 1387369318 /nfs/dbraw/zinc/36/93/18/1387369318.db2.gz YYJMKJRCZWYFGK-UHFFFAOYSA-N 1 0 330.472 3.178 10 10 EGCERO C[C@@H]([NH2+]Cc1ccc(Cl)cc1-n1cncn1)c1ccccc1O ZINC001197003066 1368729209 /nfs/dbraw/zinc/72/92/09/1368729209.db2.gz FXFAFTNFURCZPD-GFCCVEGCSA-N 1 0 328.803 3.477 10 10 EGCERO Cc1cc(C[N@@H+]2CCCCCNC(=O)CC2)ccc1N1CCCCC1 ZINC001198668531 1369086994 /nfs/dbraw/zinc/08/69/94/1369086994.db2.gz YYMBSKGNESOPMU-UHFFFAOYSA-N 1 0 343.515 3.478 10 10 EGCERO COc1cc(C)cc(C[NH2+][C@H]2CCN(C)[C@@H]2c2ccc(F)cc2)c1O ZINC001119446489 1371344564 /nfs/dbraw/zinc/34/45/64/1371344564.db2.gz ZFZXTXANRUNFSW-PKOBYXMFSA-N 1 0 344.430 3.383 10 10 EGCERO COc1ccc(C[NH2+][C@@H](C)[C@H](C)NC(=O)CCc2ccco2)cc1C ZINC001282096532 1378475003 /nfs/dbraw/zinc/47/50/03/1378475003.db2.gz PSJBNELBANORKC-HOTGVXAUSA-N 1 0 344.455 3.212 10 10 EGCERO COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)c2cc(C)oc2C)cc1C ZINC001283571940 1379028574 /nfs/dbraw/zinc/02/85/74/1379028574.db2.gz KFNBPHBKZNXXGO-AWEZNQCLSA-N 1 0 344.455 3.464 10 10 EGCERO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2ccc(C)c(O)c2O)C1 ZINC001293349674 1382275906 /nfs/dbraw/zinc/27/59/06/1382275906.db2.gz IJXQOTDSIIWGIS-CQSZACIVSA-N 1 0 334.460 3.037 10 10 EGCERO CCOc1ccc(N2CC[NH+](C[C@@H]3CC4(CCC4)CO3)CC2)cc1 ZINC001168331239 1383875360 /nfs/dbraw/zinc/87/53/60/1383875360.db2.gz AFGOGELIFKIIBF-IBGZPJMESA-N 1 0 330.472 3.167 10 10 EGCERO CCN(C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C)[C@H](C)C(C)C ZINC001313420773 1384417077 /nfs/dbraw/zinc/41/70/77/1384417077.db2.gz YVHBHKVWNAUOJK-APWZRJJASA-N 1 0 348.535 3.431 10 10 EGCERO COc1ccc(C[NH2+][C@H](C)CNC(=O)CC2CC(C)(C)C2)cc1C ZINC001317262502 1385031678 /nfs/dbraw/zinc/03/16/78/1385031678.db2.gz BAPDGOAUQOHALJ-OAHLLOKOSA-N 1 0 332.488 3.424 10 10 EGCERO COc1ccc(C[NH2+]C2CC(N(C)C(=O)/C=C(/C)C3CC3)C2)cc1C ZINC001333034657 1390239827 /nfs/dbraw/zinc/23/98/27/1390239827.db2.gz CTLHDSLFGVOUFF-UVTDQMKNSA-N 1 0 342.483 3.439 10 10 EGCERO COc1ccc(C[NH2+]CCN(C)C(=O)[C@@H]2CCC[C@H](F)C2)cc1C ZINC001481228788 1393151655 /nfs/dbraw/zinc/15/16/55/1393151655.db2.gz GDGFIWUWOQOJAG-SJORKVTESA-N 1 0 336.451 3.080 10 10 EGCERO COc1ccc(C[NH2+]C[C@@H]2CCCN(C(=O)CCCF)C2)cc1C ZINC001491169725 1394456587 /nfs/dbraw/zinc/45/65/87/1394456587.db2.gz QOTGLRUNWOVDIX-KRWDZBQOSA-N 1 0 336.451 3.082 10 10 EGCERO COc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)C[C@@H]2C[C@H]2C2CC2)cc1C ZINC001482314886 1394887685 /nfs/dbraw/zinc/88/76/85/1394887685.db2.gz WHNGVFKFNJIOIQ-MNEFBYGVSA-N 1 0 344.499 3.376 10 10 EGCERO COc1ccc(C[NH2+][C@@H](C)CCNC(=O)c2ccc(C)o2)cc1C ZINC001484989073 1395632846 /nfs/dbraw/zinc/63/28/46/1395632846.db2.gz VJCZOFIIGFYJRD-AWEZNQCLSA-N 1 0 330.428 3.203 10 10 EGCERO COc1ccc(C[NH2+]CCC[C@@H](C)NC(=O)[C@@H]2CC23CC3)cc1C ZINC001485740201 1396126938 /nfs/dbraw/zinc/12/69/38/1396126938.db2.gz JBJCWRAOZOVXKB-WBVHZDCISA-N 1 0 330.472 3.178 10 10 EGCERO C/C=C(/C)C(=O)N[C@@H]1CCC[C@H]1C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001699014379 1406846126 /nfs/dbraw/zinc/84/61/26/1406846126.db2.gz MOCQJNRHLIEGIO-LDBCDMEOSA-N 1 0 330.472 3.344 10 10 EGCERO COc1ccc(C[NH2+][C@H](C)CNC(=O)C[C@H](C)C(F)(F)F)cc1C ZINC001690618013 1404655644 /nfs/dbraw/zinc/65/56/44/1404655644.db2.gz QJRHEFHHDREEEA-QWHCGFSZSA-N 1 0 346.393 3.186 10 10 EGCERO COc1ccc(C[NH2+]CCN(C)C(=O)[C@H]2CCC[C@@H](C)C2)cc1C ZINC001691453952 1405278163 /nfs/dbraw/zinc/27/81/63/1405278163.db2.gz OJCBTXFTLJHFGD-QAPCUYQASA-N 1 0 332.488 3.378 10 10 EGCERO COc1ccc(C[NH2+][C@H]2C[C@H](CNC(=O)CC3(C)CC3)C2)cc1C ZINC001691800962 1405514098 /nfs/dbraw/zinc/51/40/98/1405514098.db2.gz ZNKZQLZKSLHDGX-QAQDUYKDSA-N 1 0 330.472 3.178 10 10 EGCERO CC[C@@H](CNC(=O)Cc1ccccc1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001698604522 1406230944 /nfs/dbraw/zinc/23/09/44/1406230944.db2.gz KSMNENNCIZNJOG-IBGZPJMESA-N 1 0 340.467 3.231 10 10 EGCERO CC[C@H](CNC(=O)Cc1ccccc1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001698604523 1406231014 /nfs/dbraw/zinc/23/10/14/1406231014.db2.gz KSMNENNCIZNJOG-LJQANCHMSA-N 1 0 340.467 3.231 10 10 EGCERO COc1ccc(C[NH2+]CC[C@@H](C)NC(=O)c2cnc(C)s2)cc1C ZINC001699084945 1412503604 /nfs/dbraw/zinc/50/36/04/1412503604.db2.gz LAXDMJJPEDKFNZ-CYBMUJFWSA-N 1 0 347.484 3.067 10 10 EGCERO COc1ccc(C[NH2+]CC(C)(C)CN(C)C(=O)CC2CC2)cc1C ZINC001700438651 1414008151 /nfs/dbraw/zinc/00/81/51/1414008151.db2.gz GSGGOKXJBSTWJB-UHFFFAOYSA-N 1 0 332.488 3.378 10 10 EGCERO C[C@H](CCNC(=O)c1ccc(N=NC(N)=O)cc1)[NH2+]CC1CCCC1 ZINC001713423144 1418049366 /nfs/dbraw/zinc/04/93/66/1418049366.db2.gz JHQAXKRHENNKGI-CYBMUJFWSA-N 1 0 345.447 3.137 10 10 EGCERO CC/C(C)=C\C(=O)N[C@H](C[NH2+]Cc1ccc(OC)c(C)c1)C1CC1 ZINC001733170739 1429273475 /nfs/dbraw/zinc/27/34/75/1429273475.db2.gz OIDOVQLECCLVFY-RXEWJAMOSA-N 1 0 330.472 3.344 10 10 EGCERO C=C/C(C)=C\CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001714002141 1418781964 /nfs/dbraw/zinc/78/19/64/1418781964.db2.gz PTSYKSCHGCFXLP-MDCBMNHQSA-N 1 0 328.456 3.263 10 10 EGCERO C/C=C(\C)C(=O)NC1(C[NH2+]Cc2ccc(OC)c(C)c2)CCCC1 ZINC001714132348 1418935856 /nfs/dbraw/zinc/93/58/56/1418935856.db2.gz VQXRPHSUQOQCEQ-PJQLUOCWSA-N 1 0 330.472 3.488 10 10 EGCERO COc1ccc(C[NH2+]C[C@@H](C)CNC(=O)c2c(C)coc2C)cc1C ZINC001715225167 1419958314 /nfs/dbraw/zinc/95/83/14/1419958314.db2.gz JAOYSUQTUCULLQ-CYBMUJFWSA-N 1 0 344.455 3.369 10 10 EGCERO COc1ccc(C[NH2+]C[C@H](C)CNC(=O)[C@H](C)C2CCC2)cc1C ZINC001715235685 1419967102 /nfs/dbraw/zinc/96/71/02/1419967102.db2.gz ODAGKZROWGWZLQ-GOEBONIOSA-N 1 0 332.488 3.282 10 10 EGCERO COc1ccc(C[NH2+][C@H](CNC(=O)C2CC3(CC3)C2)C(C)C)cc1C ZINC001715503230 1420186233 /nfs/dbraw/zinc/18/62/33/1420186233.db2.gz RVYMUYLRIKLXJK-GOSISDBHSA-N 1 0 344.499 3.424 10 10 EGCERO COc1ccc(C[NH2+][C@@H](CNC(=O)[C@H](F)C(C)C)C(C)C)cc1C ZINC001715716667 1420308864 /nfs/dbraw/zinc/30/88/64/1420308864.db2.gz FAIPVRAQXMILFT-FUHWJXTLSA-N 1 0 338.467 3.228 10 10 EGCERO CCN(CC[NH2+]Cc1ccc(OC)c(C)c1)C(=O)[C@H]1CC[C@H](F)C1 ZINC001715752723 1420325634 /nfs/dbraw/zinc/32/56/34/1420325634.db2.gz SVRXLEYDHWBPIJ-IRXDYDNUSA-N 1 0 336.451 3.080 10 10 EGCERO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)c2oc(C)cc2C)cc1C ZINC001716390931 1420630027 /nfs/dbraw/zinc/63/00/27/1420630027.db2.gz PRJLWFOVHWRJIO-CQSZACIVSA-N 1 0 330.428 3.122 10 10 EGCERO CC(C)CCC[NH2+][C@H](C)CN(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001717757980 1421620856 /nfs/dbraw/zinc/62/08/56/1421620856.db2.gz RZQDTEVULHNGKP-CQSZACIVSA-N 1 0 347.463 3.335 10 10 EGCERO CC/C(C)=C\C(=O)N1C[C@H]([NH2+]Cc2ccc(OC)c(C)c2)[C@@H](C)C1 ZINC001724933668 1425319503 /nfs/dbraw/zinc/31/95/03/1425319503.db2.gz JKQXJWBTIRNVME-TVWYKAQPSA-N 1 0 330.472 3.296 10 10 EGCERO COc1ccc(C[NH2+]CCN(C)C(=O)[C@H]2CC3CCC2CC3)cc1C ZINC001731988431 1428198607 /nfs/dbraw/zinc/19/86/07/1428198607.db2.gz RPDLPPGXLDLIGZ-KVZIAJEVSA-N 1 0 344.499 3.378 10 10 EGCERO COc1ccc(C[NH2+][C@@H](C)[C@H](C)NC(=O)c2csnc2C)cc1C ZINC001733971473 1437772721 /nfs/dbraw/zinc/77/27/21/1437772721.db2.gz SLQHPBVOOJWRND-STQMWFEESA-N 1 0 347.484 3.065 10 10 EGCERO COc1ccc(C[NH2+][C@@H](C)[C@H](C)NC(=O)c2cocc2C)cc1C ZINC001733991413 1437786727 /nfs/dbraw/zinc/78/67/27/1437786727.db2.gz GBZBHYXQIFOBDL-GJZGRUSLSA-N 1 0 330.428 3.202 10 10 EGCERO COc1ccc(C[NH2+]C[C@H](C2CC2)N(C)C(=O)c2ccco2)cc1C ZINC001734291643 1438021957 /nfs/dbraw/zinc/02/19/57/1438021957.db2.gz FCKCAHMWNNUADA-QGZVFWFLSA-N 1 0 342.439 3.237 10 10 EGCERO COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)c2cccs2)cc1C ZINC001734314742 1438044579 /nfs/dbraw/zinc/04/45/79/1438044579.db2.gz PTHAUULJAZPHMS-CQSZACIVSA-N 1 0 332.469 3.315 10 10 EGCERO COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)C(C)=C2CCC2)cc1C ZINC001734322307 1438048919 /nfs/dbraw/zinc/04/89/19/1438048919.db2.gz GHEVUKPLIXEPOW-HNNXBMFYSA-N 1 0 330.472 3.441 10 10 EGCERO [NH3+]CCN1C(=O)/C(=C\c2ccc(Cl)c(Cl)c2)SC1=S ZINC000003309640 210003225 /nfs/dbraw/zinc/00/32/25/210003225.db2.gz NZAKVZYHPOTPFW-UXBLZVDNSA-N 1 0 333.265 3.153 10 10 EGCERO CC[C@@H]([NH2+]C1CCC(O)CC1)c1cc(Br)ccc1O ZINC000019918812 212083647 /nfs/dbraw/zinc/08/36/47/212083647.db2.gz HIZWJDZPKYNJNT-ORHYLEIMSA-N 1 0 328.250 3.499 10 10 EGCERO CO[C@@H]1CC[C@H]2OCC[N@H+](Cc3cc(Cl)cc(C)c3O)[C@H]2C1 ZINC000180780175 455244237 /nfs/dbraw/zinc/24/42/37/455244237.db2.gz CKPAVFGZXUQWRO-OWCLPIDISA-N 1 0 325.836 3.122 10 10 EGCERO CCNC(=O)N1CC[C@H]([NH2+][C@@H](C)c2ccc(N3CCCCC3)cc2)C1 ZINC000090410590 454302423 /nfs/dbraw/zinc/30/24/23/454302423.db2.gz DFSJFHHZRGFNKI-WMZOPIPTSA-N 1 0 344.503 3.131 10 10 EGCERO CCN(CC)c1ccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CNC(=O)C2)cc1F ZINC000092105071 454524990 /nfs/dbraw/zinc/52/49/90/454524990.db2.gz XTPJXMKWHSJHPO-SJLPKXTDSA-N 1 0 347.478 3.163 10 10 EGCERO CCOc1ccc(O)c(C[N@@H+]2CCC[C@@H]2c2c(C)nn(C)c2C)c1 ZINC000122805814 454570154 /nfs/dbraw/zinc/57/01/54/454570154.db2.gz NBKHXVDURUPZEV-QGZVFWFLSA-N 1 0 329.444 3.478 10 10 EGCERO Oc1ccc(Br)cc1C[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000092810632 454637282 /nfs/dbraw/zinc/63/72/82/454637282.db2.gz VWMSLUAKUMHMEK-UHFFFAOYSA-N 1 0 336.233 3.257 10 10 EGCERO CN(C)c1ccc(C[NH+]2CCC(C(=O)N3CCCCC3)CC2)cc1F ZINC000162641645 454790236 /nfs/dbraw/zinc/79/02/36/454790236.db2.gz KWWUYEHVAQGHOK-UHFFFAOYSA-N 1 0 347.478 3.116 10 10 EGCERO CC(=O)c1cc(F)cc(C[NH2+][C@H]2CCCC[C@@H]2n2cccn2)c1O ZINC000127851182 455004033 /nfs/dbraw/zinc/00/40/33/455004033.db2.gz JXPMCTWFSJTXGS-IRXDYDNUSA-N 1 0 331.391 3.204 10 10 EGCERO CCCCNC(=O)C1CC[NH+](Cc2cc(Cl)cc(C)c2O)CC1 ZINC000179699535 455069297 /nfs/dbraw/zinc/06/92/97/455069297.db2.gz POKPJOJAERTJDM-UHFFFAOYSA-N 1 0 338.879 3.482 10 10 EGCERO Cc1ccccc1C(=O)NC1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000179932371 455101437 /nfs/dbraw/zinc/10/14/37/455101437.db2.gz GFMYCWZKUWARCS-UHFFFAOYSA-N 1 0 342.414 3.234 10 10 EGCERO C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@@H]2C1(C)C)c1ccc(N2CCOCC2)c(F)c1 ZINC000247934440 455656346 /nfs/dbraw/zinc/65/63/46/455656346.db2.gz CIUMAJQQOUGLBM-LZBRWLDZSA-N 1 0 348.462 3.126 10 10 EGCERO C[C@H]([NH2+][C@@H](CO)C[C@@H](O)C(C)(C)C)c1ccc2ccccc2c1O ZINC000284494027 455695843 /nfs/dbraw/zinc/69/58/43/455695843.db2.gz VKLURMYUMQEFDH-JCKWVBRZSA-N 1 0 331.456 3.354 10 10 EGCERO Cc1cc(Br)cc(C[NH2+][C@@H]2C[C@H]3OCCC[C@@H]23)c1O ZINC000249242214 455747104 /nfs/dbraw/zinc/74/71/04/455747104.db2.gz WSPKQSFBGBJWTA-BFHYXJOUSA-N 1 0 326.234 3.120 10 10 EGCERO CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)cc(C)c2O)C12CCOCC2 ZINC000186455110 455772918 /nfs/dbraw/zinc/77/29/18/455772918.db2.gz IOOKXRYLKNWDIA-HZPDHXFCSA-N 1 0 339.863 3.418 10 10 EGCERO Cc1cc(N2CCC[C@@H]([NH2+][C@H](C)c3ccc(C)cc3O)C2)n(C)n1 ZINC000278376479 455834196 /nfs/dbraw/zinc/83/41/96/455834196.db2.gz DWLMGRWSSIAABT-HZPDHXFCSA-N 1 0 328.460 3.062 10 10 EGCERO Cc1cc(Cl)cc(C[NH2+]C2CCN(CC(F)(F)F)CC2)c1O ZINC000289247243 456119165 /nfs/dbraw/zinc/11/91/65/456119165.db2.gz ATAKYXIHECXBRW-UHFFFAOYSA-N 1 0 336.785 3.470 10 10 EGCERO C[C@@H]([NH2+][C@H]1CCC(=O)NC12CCC2)c1cc2c(cc1O)CCCC2 ZINC000282968483 456677107 /nfs/dbraw/zinc/67/71/07/456677107.db2.gz CZKIZTIYJIWURX-ACJLOTCBSA-N 1 0 328.456 3.123 10 10 EGCERO CCOCc1cc(C[NH2+][C@H]2CCCc3nn(C)cc32)ccc1OC ZINC000283080685 456706631 /nfs/dbraw/zinc/70/66/31/456706631.db2.gz VPHNBERTVXZKQY-KRWDZBQOSA-N 1 0 329.444 3.132 10 10 EGCERO COc1ccc(O)c([C@@H](C)[NH2+][C@H]2CC[C@@H](C(=O)N3CCCCC3)C2)c1 ZINC000373868202 457377727 /nfs/dbraw/zinc/37/77/27/457377727.db2.gz RNQHOXXILMEJBE-OAGGEKHMSA-N 1 0 346.471 3.233 10 10 EGCERO CC[C@H]1CCN1C(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000347635476 457565421 /nfs/dbraw/zinc/56/54/21/457565421.db2.gz PUPFQUJHLMGPCZ-INIZCTEOSA-N 1 0 339.483 3.419 10 10 EGCERO Cc1cc(Br)cc(C[N@@H+]2CCC[C@@]23CCOC3)c1O ZINC000367040814 457923990 /nfs/dbraw/zinc/92/39/90/457923990.db2.gz NOLHOPRGBMJGAZ-HNNXBMFYSA-N 1 0 326.234 3.218 10 10 EGCERO CCCCNC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000435667749 458180925 /nfs/dbraw/zinc/18/09/25/458180925.db2.gz PJYQEMZJYIMDMO-UHFFFAOYSA-N 1 0 327.472 3.324 10 10 EGCERO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NCC2(C)CC2)C1 ZINC000435815705 458209707 /nfs/dbraw/zinc/20/97/07/458209707.db2.gz FRFMXZMWSDIVBP-UHFFFAOYSA-N 1 0 339.483 3.324 10 10 EGCERO CN(C)c1ccc(C[NH2+][C@H]2CC[C@@H](C(=O)N3CCCCC3)C2)cc1F ZINC000369713429 458324531 /nfs/dbraw/zinc/32/45/31/458324531.db2.gz UOOXINCOLPYGFP-SJORKVTESA-N 1 0 347.478 3.163 10 10 EGCERO CCN(CC)c1ccc(C[N@@H+]2CCC[C@H](c3ccnc(N)n3)C2)cc1 ZINC000377696556 458511535 /nfs/dbraw/zinc/51/15/35/458511535.db2.gz NWPLHJVWSSEZDL-KRWDZBQOSA-N 1 0 339.487 3.115 10 10 EGCERO Cc1cc(Cl)cc(C[N@@H+]2CC[C@]3(C2)C(=O)Nc2ccccc23)c1O ZINC000373536990 458523425 /nfs/dbraw/zinc/52/34/25/458523425.db2.gz YTKWTBVNXFGXBQ-LJQANCHMSA-N 1 0 342.826 3.450 10 10 EGCERO C[C@@H](N[C@@H]1CC[NH2+]C12CCC2)c1ccc(Br)cc1O ZINC000530213606 458717890 /nfs/dbraw/zinc/71/78/90/458717890.db2.gz ATNIGUDISBYYFT-QMTHXVAHSA-N 1 0 325.250 3.090 10 10 EGCERO C[C@@H]1C[C@@H]([NH2+]CC(C)(C)C(=O)N2CCCC2)c2c1c(F)ccc2O ZINC000528015729 459796725 /nfs/dbraw/zinc/79/67/25/459796725.db2.gz MNBUDVUDUJBOEJ-TZMCWYRMSA-N 1 0 334.435 3.318 10 10 EGCERO C[C@H](c1ccccc1)[N@H+](C)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000727316451 574661326 /nfs/dbraw/zinc/66/13/26/574661326.db2.gz APTLCVRXVQYAJN-MRXNPFEDSA-N 1 0 325.456 3.062 10 10 EGCERO COC(=O)c1cc2ccccc2c(C[N@@H+]2CCCOC(C)(C)C2)c1O ZINC000735298445 575632340 /nfs/dbraw/zinc/63/23/40/575632340.db2.gz RZZXSADFLOILSQ-UHFFFAOYSA-N 1 0 343.423 3.333 10 10 EGCERO C[C@H]1C[N@H+](Cc2cc3c(cc2O)CCC3)CCN1C(=O)OC(C)(C)C ZINC000742157912 576753084 /nfs/dbraw/zinc/75/30/84/576753084.db2.gz AISDKRRJNSDPQJ-AWEZNQCLSA-N 1 0 346.471 3.322 10 10 EGCERO COc1cc(C)cc(C[N@@H+]2CCc3c(cccc3NC(C)=O)C2)c1O ZINC000178863441 1294757891 /nfs/dbraw/zinc/75/78/91/1294757891.db2.gz ZCAXGTQCMJSCFU-UHFFFAOYSA-N 1 0 340.423 3.226 10 10 EGCERO O=C([C@@H]1CCC[N@H+](Cc2ccccc2)C1)N1Cc2cccc(O)c2C1 ZINC000871201374 1296270116 /nfs/dbraw/zinc/27/01/16/1296270116.db2.gz UOZRLKWHMCUKKN-GOSISDBHSA-N 1 0 336.435 3.147 10 10 EGCERO Cc1ccc(O)c(C[N@@H+]2C[C@@H]3CC[C@H](NC(=O)OC(C)(C)C)[C@H]3C2)c1 ZINC000248569626 1296421355 /nfs/dbraw/zinc/42/13/55/1296421355.db2.gz CJXHEBTXCXOJCX-XIRDDKMYSA-N 1 0 346.471 3.436 10 10 EGCERO C[C@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)c1cc(Br)cc(F)c1[O-] ZINC000925883470 1325341518 /nfs/dbraw/zinc/34/15/18/1325341518.db2.gz WPRYZZSEZLEQNM-NGZCFLSTSA-N 1 0 331.229 3.072 10 10 EGCERO c1cn2cc(C[NH2+]Cc3ccc(N4CCSCC4)cc3)sc2n1 ZINC000892613684 1305469891 /nfs/dbraw/zinc/46/98/91/1305469891.db2.gz XIJFRFLWERUZFA-UHFFFAOYSA-N 1 0 344.509 3.239 10 10 EGCERO COC(=O)c1c(C[NH2+]CCOC(C)(C)C)c2cc(F)ccc2n1C ZINC000894211198 1306280200 /nfs/dbraw/zinc/28/02/00/1306280200.db2.gz OGUUOECWLCKZSY-UHFFFAOYSA-N 1 0 336.407 3.009 10 10 EGCERO COC(=O)c1c(C[NH+]2CCC(C)(OC)CC2)c2cc(F)ccc2n1C ZINC000894424779 1308873325 /nfs/dbraw/zinc/87/33/25/1308873325.db2.gz MQBRXMAEVAGEAY-UHFFFAOYSA-N 1 0 348.418 3.105 10 10 EGCERO COC(=O)c1c(C[N@H+]2CCC[C@H](OC)CC2)c2cc(F)ccc2n1C ZINC000894441794 1308889671 /nfs/dbraw/zinc/88/96/71/1308889671.db2.gz RFJRATYHPNGBIG-AWEZNQCLSA-N 1 0 348.418 3.105 10 10 EGCERO COc1cc(C)cc(C[NH2+][C@H]2c3sccc3OC(C)(C)[C@@H]2O)c1O ZINC000894983279 1309143915 /nfs/dbraw/zinc/14/39/15/1309143915.db2.gz AVQZAVRWECETCP-WMLDXEAASA-N 1 0 349.452 3.134 10 10 EGCERO COC(=O)c1cnc(C[NH2+][C@@H](C)Cc2ccc(N(C)C)cc2C)s1 ZINC000895015817 1309158976 /nfs/dbraw/zinc/15/89/76/1309158976.db2.gz ZFARZPCYBJUNMU-ZDUSSCGKSA-N 1 0 347.484 3.025 10 10 EGCERO COc1cc(C)cc(C[N@@H+]2CC[C@H](Oc3ccc(C)cn3)C2)c1O ZINC000895403840 1309318645 /nfs/dbraw/zinc/31/86/45/1309318645.db2.gz BIBRGZSGNFUORK-INIZCTEOSA-N 1 0 328.412 3.066 10 10 EGCERO COc1cc(Cl)cc(C[NH2+]C[C@H]2CCC3(CCC3)CO2)c1O ZINC000895809734 1309530390 /nfs/dbraw/zinc/53/03/90/1309530390.db2.gz RBPWAXALGYHBFJ-CQSZACIVSA-N 1 0 325.836 3.493 10 10 EGCERO COc1cc(Cl)cc(C[NH2+]C[C@@H]2CCC3(CCC3)CO2)c1O ZINC000895809733 1309530458 /nfs/dbraw/zinc/53/04/58/1309530458.db2.gz RBPWAXALGYHBFJ-AWEZNQCLSA-N 1 0 325.836 3.493 10 10 EGCERO COc1cc(Cl)cc(C[NH2+]CC2(C3(O)CCC3)CCC2)c1O ZINC000895867247 1309570661 /nfs/dbraw/zinc/57/06/61/1309570661.db2.gz BWIQOLUMCNSWOM-UHFFFAOYSA-N 1 0 325.836 3.229 10 10 EGCERO C/C(=C/c1cccnc1)C(=O)N1C[C@H]([NH+](C)C)CCc2ccccc21 ZINC000857925742 1328627899 /nfs/dbraw/zinc/62/78/99/1328627899.db2.gz PDVSPSQZXOHAFA-XCTGESOMSA-N 1 0 335.451 3.395 10 10 EGCERO CCN(CC)c1ccc(C[NH2+]C[C@H]2c3ccccc3C(=O)N2C)cc1 ZINC000858282930 1328728162 /nfs/dbraw/zinc/72/81/62/1328728162.db2.gz AIZXRZMITMFCLT-FQEVSTJZSA-N 1 0 337.467 3.449 10 10 EGCERO Cc1ccc([C@@H](C)[NH2+]CC2(OCCO)CCC(F)(F)CC2)c(O)c1 ZINC000858483626 1328775746 /nfs/dbraw/zinc/77/57/46/1328775746.db2.gz URIBUXWSEFHYPD-CQSZACIVSA-N 1 0 343.414 3.308 10 10 EGCERO Oc1cc2c(cc1C[NH+]1CCN(CCc3cccs3)CC1)CCC2 ZINC000919949740 1322120871 /nfs/dbraw/zinc/12/08/71/1322120871.db2.gz KXNCTLZDTBEGQC-UHFFFAOYSA-N 1 0 342.508 3.303 10 10 EGCERO C[C@@H]1OC[C@H]([NH2+]C2CCN(c3ccc(OC(F)F)cc3)CC2)[C@@H]1C ZINC000924908407 1323209102 /nfs/dbraw/zinc/20/91/02/1323209102.db2.gz VUXQYJAPHAAZCZ-IGCXYCKISA-N 1 0 340.414 3.270 10 10 EGCERO CC[C@H]([NH2+]CC(C)(C)CS(C)(=O)=O)c1cc(Cl)ccc1O ZINC000926954465 1327795012 /nfs/dbraw/zinc/79/50/12/1327795012.db2.gz DAEQGJKLNMJSBS-ZDUSSCGKSA-N 1 0 333.881 3.157 10 10 EGCERO C[C@@H]([NH2+]C[C@H]1C[C@@H]2COC[C@@H]2O1)c1ccc(N2CCCCC2)cc1 ZINC000926946422 1327788870 /nfs/dbraw/zinc/78/88/70/1327788870.db2.gz ULDPGJBLBQBUTC-QOJCHSLYSA-N 1 0 330.472 3.131 10 10 EGCERO CCCN(Cc1cn(C)nc1Br)c1ccc(C[NH3+])cc1 ZINC000862348575 1329476555 /nfs/dbraw/zinc/47/65/55/1329476555.db2.gz RVKPYPOMRCVHGF-UHFFFAOYSA-N 1 0 337.265 3.058 10 10 EGCERO COC[C@@H]1CCC[N@H+](Cc2c(O)cccc2Br)CC1 ZINC000862390554 1329481517 /nfs/dbraw/zinc/48/15/17/1329481517.db2.gz GNLIIFUQMOIGAC-GFCCVEGCSA-N 1 0 328.250 3.403 10 10 EGCERO CCN(CC)c1ccc(C[N@@H+]2CC[C@H]3CC[C@@H](C2)[S@]3=O)cc1F ZINC000862527538 1329492272 /nfs/dbraw/zinc/49/22/72/1329492272.db2.gz QCBANLJJXIHWMJ-SYJLOODJSA-N 1 0 338.492 3.157 10 10 EGCERO C[C@@H]([NH2+][C@H]1CCN(CC(C)(C)O)C1)c1ccc2ccccc2c1O ZINC000866412134 1330108172 /nfs/dbraw/zinc/10/81/72/1330108172.db2.gz DVPXAJVSZPRGOI-ZBFHGGJFSA-N 1 0 328.456 3.041 10 10 EGCERO CCC[C@@H](CCO)[NH2+][C@@H](C)c1cc(Br)cc(OC)c1O ZINC000866414220 1330108750 /nfs/dbraw/zinc/10/87/50/1330108750.db2.gz ARUATSYAAGVSPU-JQWIXIFHSA-N 1 0 346.265 3.365 10 10 EGCERO CC[C@H](C[C@@H](C)O)[NH2+][C@H](C)c1cc(Br)cc(OC)c1O ZINC000866633228 1330136096 /nfs/dbraw/zinc/13/60/96/1330136096.db2.gz GVXBSXCPVBQTOS-CKYFFXLPSA-N 1 0 346.265 3.363 10 10 EGCERO COc1ccc(C[NH2+]C2(CNC(=O)c3ccc(C)o3)CCC2)cc1C ZINC001326788190 1388311231 /nfs/dbraw/zinc/31/12/31/1388311231.db2.gz OMUVYVHSVKERAJ-UHFFFAOYSA-N 1 0 342.439 3.347 10 10 EGCERO Cc1cc(CC(=O)NC[C@@H](C2CC2)[NH+](C)C)c(C)n1-c1ccccc1 ZINC001141937893 1378396069 /nfs/dbraw/zinc/39/60/69/1378396069.db2.gz PCKNAAUSJVQGJP-FQEVSTJZSA-N 1 0 339.483 3.093 10 10 EGCERO COc1cc([N+](=O)[O-])c(N2CC[N@H+](C3CCCC3)[C@@H](C)C2)cc1OC ZINC001307209473 1383957657 /nfs/dbraw/zinc/95/76/57/1383957657.db2.gz BQBKDBKKQRRFFS-ZDUSSCGKSA-N 1 0 349.431 3.065 10 10 EGCERO COc1ccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)[C@H]2C[C@H]3C[C@H]3C2)cc1C ZINC001329104567 1388970413 /nfs/dbraw/zinc/97/04/13/1388970413.db2.gz RAEGDIIEYUQKTA-KVDVXYDOSA-N 1 0 330.472 3.033 10 10 EGCERO COC1CCN(c2ccc(C[NH2+]C3([C@H]4CCCO4)CCC3)cc2)CC1 ZINC001176939963 1385749676 /nfs/dbraw/zinc/74/96/76/1385749676.db2.gz PFRWDLKPNDUKSH-HXUWFJFHSA-N 1 0 344.499 3.493 10 10 EGCERO COc1ccc(C[NH2+]CC2(NC(=O)[C@H]3CC34CC4)CCCC2)cc1C ZINC001318656354 1385820684 /nfs/dbraw/zinc/82/06/84/1385820684.db2.gz RBTUVBJQEYNJEN-QGZVFWFLSA-N 1 0 342.483 3.322 10 10 EGCERO CC[C@H](F)C(=O)NC1(C[NH2+]Cc2ccc(OC)c(C)c2)CCCC1 ZINC001698637051 1406282829 /nfs/dbraw/zinc/28/28/29/1406282829.db2.gz RPNFHUZIFOXZTA-INIZCTEOSA-N 1 0 336.451 3.270 10 10 EGCERO CC(=O)N1CC[N@@H+](Cc2ccc(N(C)C)cc2C)CC12CCCCC2 ZINC001179950265 1386643235 /nfs/dbraw/zinc/64/32/35/1386643235.db2.gz CCWVAICWNBHNLC-UHFFFAOYSA-N 1 0 343.515 3.428 10 10 EGCERO COc1ccc(C[NH2+]CC(C)(C)CN(C)C(=O)C(C)(F)F)cc1C ZINC001329265614 1389040374 /nfs/dbraw/zinc/04/03/74/1389040374.db2.gz FTDIVEIAKICNMP-UHFFFAOYSA-N 1 0 342.430 3.233 10 10 EGCERO CC[C@@H](F)C(=O)N[C@H](C[NH2+]Cc1ccc(OC)c(C)c1)C(C)(C)C ZINC001332837022 1390197042 /nfs/dbraw/zinc/19/70/42/1390197042.db2.gz IKGXUPUJHDOHKV-NVXWUHKLSA-N 1 0 338.467 3.372 10 10 EGCERO COc1ccc(C[NH2+][C@H](C)CNC(=O)c2c(C)cccc2F)cc1C ZINC001480605489 1392817040 /nfs/dbraw/zinc/81/70/40/1392817040.db2.gz XGCXWEJBFASZJY-OAHLLOKOSA-N 1 0 344.430 3.359 10 10 EGCERO COc1ccc(C[NH2+][C@H](C)CCNC(=O)c2cccnc2C)cc1C ZINC001480788461 1392933484 /nfs/dbraw/zinc/93/34/84/1392933484.db2.gz KZCJVJDVAFPZCS-OAHLLOKOSA-N 1 0 341.455 3.005 10 10 EGCERO COc1ccc(C[NH2+][C@H](C)CNC(=O)c2cccc(F)c2)cc1C ZINC001491382205 1394514948 /nfs/dbraw/zinc/51/49/48/1394514948.db2.gz RJKDEIXVGLQTFH-CQSZACIVSA-N 1 0 330.403 3.051 10 10 EGCERO COc1ccc(C[NH2+]C[C@@H](C)CNC(=O)[C@H]2CC=CCC2)cc1C ZINC001482075180 1394736957 /nfs/dbraw/zinc/73/69/57/1394736957.db2.gz JSZNMKHDDAFNNN-QAPCUYQASA-N 1 0 330.472 3.202 10 10 EGCERO COc1ccc(C[NH2+]C2(CNC(=O)C3(C)CC=CC3)CCC2)cc1C ZINC001484650568 1395463037 /nfs/dbraw/zinc/46/30/37/1395463037.db2.gz ZBVKNSNYKDHCCR-UHFFFAOYSA-N 1 0 342.483 3.488 10 10 EGCERO COc1ccc(C[NH2+][C@@H](C)CCNC(=O)[C@H](C)c2ccco2)cc1C ZINC001492082279 1396303038 /nfs/dbraw/zinc/30/30/38/1396303038.db2.gz ADALTCWAKGWVOX-JKSUJKDBSA-N 1 0 344.455 3.385 10 10 EGCERO CCCC[NH2+][C@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@H]1C ZINC001496373119 1396673880 /nfs/dbraw/zinc/67/38/80/1396673880.db2.gz CKTUQPDJBOPRIO-CJNGLKHVSA-N 1 0 345.447 3.089 10 10 EGCERO COc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)C=C(C)C)C2)cc1C ZINC001691208332 1405149559 /nfs/dbraw/zinc/14/95/59/1405149559.db2.gz ZFEMBHSIWSPURV-ZWKOTPCHSA-N 1 0 330.472 3.344 10 10 EGCERO CC[C@H](C)CC(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001691779255 1405489554 /nfs/dbraw/zinc/48/95/54/1405489554.db2.gz PBZMUWFCSGIWQA-WBAXXEDZSA-N 1 0 332.488 3.424 10 10 EGCERO CC[C@@H](CNC(=O)c1ccnc(C)c1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001732216841 1428464388 /nfs/dbraw/zinc/46/43/88/1428464388.db2.gz GEOCXKADUNLKTC-SFHVURJKSA-N 1 0 341.455 3.005 10 10 EGCERO COc1ccc(C[NH2+]C[C@H](C)CNC(=O)c2cc(Cl)c[nH]2)cc1C ZINC001732332840 1428538476 /nfs/dbraw/zinc/53/84/76/1428538476.db2.gz HXCOXQDDELYJBU-LBPRGKRZSA-N 1 0 349.862 3.141 10 10 EGCERO CCN(CC[NH2+]Cc1ccc(OC)c(C)c1)C(=O)Cc1ccccc1 ZINC001699187684 1412560813 /nfs/dbraw/zinc/56/08/13/1412560813.db2.gz ZUKXYSIFBFHVHR-UHFFFAOYSA-N 1 0 340.467 3.184 10 10 EGCERO COc1ccc(C[NH2+]CCC[C@@H](C)NC(=O)c2cc[nH]c2)cc1C ZINC001700662206 1414322308 /nfs/dbraw/zinc/32/23/08/1414322308.db2.gz NFTXHYOHRHRKAW-OAHLLOKOSA-N 1 0 329.444 3.020 10 10 EGCERO COc1ccc(C[NH2+]CC[C@H](C)NC(=O)/C=C(\C)C2CC2)cc1C ZINC001732676198 1428903690 /nfs/dbraw/zinc/90/36/90/1428903690.db2.gz GSVQTQQDZOHNHQ-GRNBYLDVSA-N 1 0 330.472 3.344 10 10 EGCERO CCn1cccc1C(=O)N[C@H](C)CC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001732754099 1428949477 /nfs/dbraw/zinc/94/94/77/1428949477.db2.gz QCPZXIUIPMXHHW-MRXNPFEDSA-N 1 0 343.471 3.123 10 10 EGCERO CCCCC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001713520117 1418261355 /nfs/dbraw/zinc/26/13/55/1418261355.db2.gz NXYNVNQLFYYMRK-INIZCTEOSA-N 1 0 345.447 3.233 10 10 EGCERO COc1ccc(C[NH2+]CCN(C)C(=O)C[C@@H](C)C(F)(F)F)cc1C ZINC001713629428 1418401262 /nfs/dbraw/zinc/40/12/62/1418401262.db2.gz BKEZGWDMDRNEFA-CYBMUJFWSA-N 1 0 346.393 3.140 10 10 EGCERO COc1ccc(C[NH2+][C@@H](C)CNC(=O)[C@H]2CC[C@H](C)CC2)cc1C ZINC001714293805 1419072419 /nfs/dbraw/zinc/07/24/19/1419072419.db2.gz GIIPCTBOQKVTDS-ZVZYQTTQSA-N 1 0 332.488 3.424 10 10 EGCERO COc1ccc(C[NH2+][C@H](C)CNC(=O)c2cc(F)cc(F)c2)cc1C ZINC001714299178 1419078205 /nfs/dbraw/zinc/07/82/05/1419078205.db2.gz DYPDJNLMMCRZLN-CYBMUJFWSA-N 1 0 348.393 3.190 10 10 EGCERO COc1ccc(C[NH2+][C@H](C)CCNC(=O)CC(C)(F)F)cc1C ZINC001714486253 1419209270 /nfs/dbraw/zinc/20/92/70/1419209270.db2.gz HXNJCLLKAQLEEU-CYBMUJFWSA-N 1 0 328.403 3.033 10 10 EGCERO C/C=C(\C)C(=O)NCC1([NH2+]Cc2ccc(OC)c(C)c2)CCCC1 ZINC001714488633 1419212387 /nfs/dbraw/zinc/21/23/87/1419212387.db2.gz NIZIXKBXJGXQIE-PJQLUOCWSA-N 1 0 330.472 3.488 10 10 EGCERO COc1ccc(C[NH2+][C@H](C)[C@H](C)NC(=O)c2ccc(C)nc2)cc1C ZINC001725079414 1425518258 /nfs/dbraw/zinc/51/82/58/1425518258.db2.gz IPKJKVWMDCHEBC-CVEARBPZSA-N 1 0 341.455 3.004 10 10 EGCERO COc1ccc(C[NH2+][C@H](C)CNC(=O)c2c(F)cccc2F)cc1C ZINC001731635809 1427690714 /nfs/dbraw/zinc/69/07/14/1427690714.db2.gz YJBMONADBBYRNV-CYBMUJFWSA-N 1 0 348.393 3.190 10 10 EGCERO COc1ccc(C[NH2+]CC[C@@H]2CCN(C(=O)[C@@H]3CC34CC4)C2)cc1C ZINC001733665715 1429859882 /nfs/dbraw/zinc/85/98/82/1429859882.db2.gz GIFWRWFCMIHEEM-AEFFLSMTSA-N 1 0 342.483 3.132 10 10 EGCERO CCCC[NH2+]C[C@H](NC(=O)c1ccc(N=NC(N)=O)cc1)C(C)(C)C ZINC001734573928 1438167464 /nfs/dbraw/zinc/16/74/64/1438167464.db2.gz GHLZIVIZWOBCAD-HNNXBMFYSA-N 1 0 347.463 3.383 10 10 EGCERO COc1ccccc1C[C@](C)(CO)[NH2+]Cc1ccc(N(C)C)c(C)c1 ZINC001620537041 1126240940 /nfs/dbraw/zinc/24/09/40/1126240940.db2.gz LEAPJYGZBACIQM-OAQYLSRUSA-N 1 0 342.483 3.153 10 10 EGCERO C[C@@H]([NH3+])c1ccc(N(C)C[C@@H]2CCCOC2)c(Br)c1 ZINC000104196072 219360039 /nfs/dbraw/zinc/36/00/39/219360039.db2.gz LBVTUSADFJZENK-NEPJUHHUSA-N 1 0 327.266 3.332 10 10 EGCERO CC[C@@H]([NH2+][C@@H]1CN2CCC1CC2)c1cc(Br)ccc1O ZINC000019947262 212089201 /nfs/dbraw/zinc/08/92/01/212089201.db2.gz GKUWLOGOOYQCPK-HUUCEWRRSA-N 1 0 339.277 3.290 10 10 EGCERO Cc1ccc([C@@H](C[NH2+][C@@H](C)c2ccccc2O)N2CCOCC2)s1 ZINC000183597557 455310277 /nfs/dbraw/zinc/31/02/77/455310277.db2.gz VJAJVWVLKQNUSK-DOTOQJQBSA-N 1 0 346.496 3.486 10 10 EGCERO C[N@@H+](Cc1ccc(N2CCCCC2)cc1)C[C@@H](O)COC(C)(C)C ZINC000053420222 453877980 /nfs/dbraw/zinc/87/79/80/453877980.db2.gz HCLDMCLKXIDQQN-LJQANCHMSA-N 1 0 334.504 3.285 10 10 EGCERO C[C@@H]([NH2+]Cc1cn(C)nc1C(F)(F)F)c1ccc(N(C)C)cc1 ZINC000090666452 454334120 /nfs/dbraw/zinc/33/41/20/454334120.db2.gz COPTUMBSKNFYGR-LLVKDONJSA-N 1 0 326.366 3.356 10 10 EGCERO CO[C@@H]1CC[C@@H]2OCC[N@H+](Cc3ccc(N4CCCCC4)cc3)[C@@H]2C1 ZINC000092095488 454520986 /nfs/dbraw/zinc/52/09/86/454520986.db2.gz IWQVUTBOPSFYLT-NJYVYQBISA-N 1 0 344.499 3.445 10 10 EGCERO O=C1C[C@@H]([C@@H]2CCCC[N@@H+]2Cc2ccc(N3CCCCC3)cc2)CN1 ZINC000092104746 454523412 /nfs/dbraw/zinc/52/34/12/454523412.db2.gz KRPGFKJRTWOZOY-QUCCMNQESA-N 1 0 341.499 3.168 10 10 EGCERO CN(C)c1ccc(C[N@@H+]2CCCN(C(=O)c3cccs3)CC2)cc1 ZINC000093385673 454710213 /nfs/dbraw/zinc/71/02/13/454710213.db2.gz PKCPMPGEYGQXAZ-UHFFFAOYSA-N 1 0 343.496 3.162 10 10 EGCERO Cc1csc([C@@H]2CCC[N@H+](Cc3cc4c(cc3O)OCO4)C2)n1 ZINC000156540147 455130366 /nfs/dbraw/zinc/13/03/66/455130366.db2.gz CZIIORCPFCOUHE-GFCCVEGCSA-N 1 0 332.425 3.265 10 10 EGCERO C[C@@H]([NH2+]C[C@](C)(O)c1ccccc1)c1ccc(N2CCOCC2)cc1 ZINC000264913568 455297593 /nfs/dbraw/zinc/29/75/93/455297593.db2.gz ZVQJMPCZVOOZKJ-UTKZUKDTSA-N 1 0 340.467 3.082 10 10 EGCERO Cc1cccc(C[N@H+]2CC[C@@H](CN(C)Cc3cccnc3)C2)c1O ZINC000190492150 455331264 /nfs/dbraw/zinc/33/12/64/455331264.db2.gz WNNJHSULCVJEOA-SFHVURJKSA-N 1 0 325.456 3.050 10 10 EGCERO C[C@H]([NH2+]CCCN1CCCC1=O)c1ccc(N2CCCCC2)c(F)c1 ZINC000159479792 455379182 /nfs/dbraw/zinc/37/91/82/455379182.db2.gz OBZAFAGIIHFZBK-INIZCTEOSA-N 1 0 347.478 3.479 10 10 EGCERO CCN(CC(=O)OC(C)(C)C)C1CC[NH+](Cc2ccccc2O)CC1 ZINC000190829758 455388743 /nfs/dbraw/zinc/38/87/43/455388743.db2.gz CUBPTKJSHRIBLL-UHFFFAOYSA-N 1 0 348.487 3.020 10 10 EGCERO CC(=O)c1cc(F)cc(C[NH2+][C@@H](C)[C@H]2COc3ccccc32)c1O ZINC000185605373 455584145 /nfs/dbraw/zinc/58/41/45/455584145.db2.gz IENCFCDWNRBTHR-APPDUMDISA-N 1 0 329.371 3.388 10 10 EGCERO CCOc1cccc(C[NH2+]Cc2ccn(Cc3ccccc3)n2)c1O ZINC000284095356 455635262 /nfs/dbraw/zinc/63/52/62/455635262.db2.gz RTRQVRJLKSELII-UHFFFAOYSA-N 1 0 337.423 3.326 10 10 EGCERO CCO[C@@H]1C[C@@H]([NH2+][C@H](C)c2ccc(N(C)C)cc2)C12CCOCC2 ZINC000248652784 455724628 /nfs/dbraw/zinc/72/46/28/455724628.db2.gz YJOIUNSFEIGOJS-ATZDWAIDSA-N 1 0 332.488 3.377 10 10 EGCERO COc1cc(Cl)cc(C[N@@H+]2CC[C@H](C)[C@H](n3ccnc3)C2)c1O ZINC000248862079 455735345 /nfs/dbraw/zinc/73/53/45/455735345.db2.gz GIRZTCJHPAKNDI-SWLSCSKDSA-N 1 0 335.835 3.334 10 10 EGCERO COc1cc(Cl)cc(C[NH2+]CC2(CO)CC3(CCC3)C2)c1O ZINC000279487157 455865963 /nfs/dbraw/zinc/86/59/63/455865963.db2.gz XRCJDRVGPVETMX-UHFFFAOYSA-N 1 0 325.836 3.087 10 10 EGCERO CC[C@H]([NH2+][C@H](C)c1cc(Br)ccc1O)[C@H](O)C(F)F ZINC000296307017 455905235 /nfs/dbraw/zinc/90/52/35/455905235.db2.gz GEKCYGNMJPVNTL-VHRDEZTHSA-N 1 0 338.192 3.210 10 10 EGCERO Cc1ccc(C)n1-c1ccsc1C(=O)N1CC[NH+]2CCC1CC2 ZINC000188632703 456099617 /nfs/dbraw/zinc/09/96/17/456099617.db2.gz FUTDCNFTIPQVKH-UHFFFAOYSA-N 1 0 329.469 3.076 10 10 EGCERO C[C@H]([NH2+]C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1cc(F)ccc1O ZINC000273470341 456233543 /nfs/dbraw/zinc/23/35/43/456233543.db2.gz RXFPMQCYALHAAO-STQMWFEESA-N 1 0 338.423 3.439 10 10 EGCERO Oc1ccc(-c2ccccc2)cc1C[N@@H+]1CCO[C@@]2(CCOC2)C1 ZINC000274406279 456257875 /nfs/dbraw/zinc/25/78/75/456257875.db2.gz HZOPVDGTPBVKEY-FQEVSTJZSA-N 1 0 325.408 3.051 10 10 EGCERO C[C@H]([NH2+]C[C@@H]1CCC2(CCOCC2)[C@@H]1O)c1cc(Cl)ccc1O ZINC000283002578 456685915 /nfs/dbraw/zinc/68/59/15/456685915.db2.gz GJGXHVRKVXOYBD-GDZNZVCISA-N 1 0 339.863 3.264 10 10 EGCERO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCC3(CCOCC3)[C@H]2O)c(O)c1C ZINC000283370708 456767489 /nfs/dbraw/zinc/76/74/89/456767489.db2.gz NXWZPZDNTWYHGA-BXWFABGCSA-N 1 0 333.472 3.227 10 10 EGCERO CC[C@H]([NH2+]C[C@H]1CCC2(CCOCC2)[C@@H]1O)c1ccc(C)cc1O ZINC000283515702 456795843 /nfs/dbraw/zinc/79/58/43/456795843.db2.gz ZXPRANCVDSPETN-HHXXYDBFSA-N 1 0 333.472 3.309 10 10 EGCERO COc1ccc(O)c(C[N@@H+]2CCC[C@]3(C2)OCc2ccccc23)c1 ZINC000363949235 457465938 /nfs/dbraw/zinc/46/59/38/457465938.db2.gz HAYQAIKLIZQBOY-HXUWFJFHSA-N 1 0 325.408 3.422 10 10 EGCERO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2C[C@H](C)[C@@H]2C)C1 ZINC000357528061 457581283 /nfs/dbraw/zinc/58/12/83/457581283.db2.gz AEZLDNWVHRJLRS-HOTGVXAUSA-N 1 0 339.483 3.275 10 10 EGCERO COc1ccc(CN2CC[C@H]2C[NH2+]Cc2cccc(C)c2O)cc1 ZINC000529643042 459831845 /nfs/dbraw/zinc/83/18/45/459831845.db2.gz HXCBPOKZDKJPES-SFHVURJKSA-N 1 0 326.440 3.073 10 10 EGCERO Oc1cc(Br)ccc1C[NH2+]C[C@H]1CCN1C1CCCC1 ZINC000529668913 459833100 /nfs/dbraw/zinc/83/31/00/459833100.db2.gz JCFVLWUQYMCNPF-OAHLLOKOSA-N 1 0 339.277 3.261 10 10 EGCERO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CC=CCC2)C1 ZINC000683450260 550230498 /nfs/dbraw/zinc/23/04/98/550230498.db2.gz CPDPKDBDFIDBLJ-UHFFFAOYSA-N 1 0 337.467 3.196 10 10 EGCERO Oc1cc2c(cc1C[N@@H+]1CCC[C@H]1c1ccc3c(c1)OCO3)OCO2 ZINC000728285713 574735774 /nfs/dbraw/zinc/73/57/74/574735774.db2.gz LWCUAMUZRZQEQI-AWEZNQCLSA-N 1 0 341.363 3.187 10 10 EGCERO COc1cc(C)cc(C[NH+]2CCN(Cc3ccsc3)CC2)c1O ZINC000732556533 575276130 /nfs/dbraw/zinc/27/61/30/575276130.db2.gz OGRMNWZRCAGTQR-UHFFFAOYSA-N 1 0 332.469 3.089 10 10 EGCERO C[C@@H](Cc1ccc(O)cc1)[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000093324708 1292915603 /nfs/dbraw/zinc/91/56/03/1292915603.db2.gz DHEWJGGONUWVEV-KRWDZBQOSA-N 1 0 340.467 3.292 10 10 EGCERO Oc1cc(OCc2ccccc2)ccc1CN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000183061097 1295094927 /nfs/dbraw/zinc/09/49/27/1295094927.db2.gz MMWBAVHZTADGDJ-LJQANCHMSA-N 1 0 338.451 3.251 10 10 EGCERO COC(=O)c1cc(C[NH2+]Cc2ccc(N(C)C)cc2)[nH]c1C(C)C ZINC000894160922 1306253438 /nfs/dbraw/zinc/25/34/38/1306253438.db2.gz PIAXCTWSGHIZID-UHFFFAOYSA-N 1 0 329.444 3.281 10 10 EGCERO COc1cc(C)cc(C[NH2+][C@@H]2CCN(C)[C@H]2c2ccccc2)c1O ZINC000894368795 1306363504 /nfs/dbraw/zinc/36/35/04/1306363504.db2.gz VGHDJHNCWGJQCP-MJGOQNOKSA-N 1 0 326.440 3.244 10 10 EGCERO COc1cccc(O)c1CN(c1ccccn1)[C@H]1CC[C@H]([NH3+])CC1 ZINC000895111538 1309195554 /nfs/dbraw/zinc/19/55/54/1309195554.db2.gz PWMXFIBADUGLBG-SHTZXODSSA-N 1 0 327.428 3.072 10 10 EGCERO COc1cc(C)cc(CN2Cc3ccccc3NC(=O)[C@@H]2C)c1O ZINC000895453824 1309344579 /nfs/dbraw/zinc/34/45/79/1309344579.db2.gz PQCNFXIXTXEGOL-ZDUSSCGKSA-N 1 0 326.396 3.052 10 10 EGCERO CC(C)OC(=O)C1CC[NH+](C/C=C/c2ccc(N(C)C)cc2)CC1 ZINC000895828107 1309541892 /nfs/dbraw/zinc/54/18/92/1309541892.db2.gz JUNAOCARQYEEHK-AATRIKPKSA-N 1 0 330.472 3.429 10 10 EGCERO Cc1ccc(/C=C/C(=O)N2C[C@@H]([NH+](C)C)CCc3ccccc32)cn1 ZINC000857925650 1328627187 /nfs/dbraw/zinc/62/71/87/1328627187.db2.gz ALHRINKLPSICRI-QHSLDKKCSA-N 1 0 335.451 3.313 10 10 EGCERO C/C(=C\c1cccnc1)C(=O)N1C[C@H]([NH+](C)C)CCc2ccccc21 ZINC000857925739 1328627721 /nfs/dbraw/zinc/62/77/21/1328627721.db2.gz PDVSPSQZXOHAFA-NRMGUKERSA-N 1 0 335.451 3.395 10 10 EGCERO Cc1ccncc1/C=C\C(=O)N1C[C@H]([NH+](C)C)CCc2ccccc21 ZINC000857927521 1328629535 /nfs/dbraw/zinc/62/95/35/1328629535.db2.gz RWPMJJRELCCJRB-ZMOVQZPESA-N 1 0 335.451 3.313 10 10 EGCERO COc1cccc(C[N@@H+]2CC[C@@H](Oc3ccc(C4CC4)cn3)C2)c1O ZINC000858013522 1328659924 /nfs/dbraw/zinc/65/99/24/1328659924.db2.gz DYHHEJYRCLDYLC-QGZVFWFLSA-N 1 0 340.423 3.327 10 10 EGCERO COc1ccc(O)c(C[N@@H+]2CC[C@@H](Oc3ccc(C4CC4)cn3)C2)c1 ZINC000858016930 1328660957 /nfs/dbraw/zinc/66/09/57/1328660957.db2.gz RZGDTKBETYRGSE-GOSISDBHSA-N 1 0 340.423 3.327 10 10 EGCERO C[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1)[C@@H]1C[C@H]1C1CC1 ZINC000858106741 1328683880 /nfs/dbraw/zinc/68/38/80/1328683880.db2.gz QAVVVDAFYRLCNW-KKXDTOCCSA-N 1 0 332.463 3.311 10 10 EGCERO CCN(Cc1nn(C)cc1C)Cc1cc(Br)ccc1O ZINC000929755870 1328688027 /nfs/dbraw/zinc/68/80/27/1328688027.db2.gz SJPMRVMBBJMPJW-UHFFFAOYSA-N 1 0 338.249 3.219 10 10 EGCERO C[C@H]([NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1)[C@@H]1C[C@H]1C1CC1 ZINC000858175646 1328703661 /nfs/dbraw/zinc/70/36/61/1328703661.db2.gz AOHTVUCXOVLXAW-RCBQFDQVSA-N 1 0 336.426 3.326 10 10 EGCERO CN(C)c1ccc(/C=C\C[NH2+]Cc2ccc3oc(=O)n(C)c3c2)cc1 ZINC000858295137 1328731370 /nfs/dbraw/zinc/73/13/70/1328731370.db2.gz WEHAPEOYKDDBKF-PLNGDYQASA-N 1 0 337.423 3.001 10 10 EGCERO CO[C@H]1C[C@@H](C[NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000858329488 1328738779 /nfs/dbraw/zinc/73/87/79/1328738779.db2.gz FPXHNBNCOXOWBG-IYBDPMFKSA-N 1 0 333.432 3.100 10 10 EGCERO C[C@H]([NH2+]CCCc1cccnc1)c1ccc(N2CCOCC2)cc1 ZINC000930211824 1328813415 /nfs/dbraw/zinc/81/34/15/1328813415.db2.gz XTPZHUJJPXRUHA-KRWDZBQOSA-N 1 0 325.456 3.202 10 10 EGCERO C[N@H+](Cc1ccc2c(c1)OCCO2)Cc1cc2c(cc1O)CCC2 ZINC000915832134 1319545844 /nfs/dbraw/zinc/54/58/44/1319545844.db2.gz IXTDEZCEHBSUTG-UHFFFAOYSA-N 1 0 325.408 3.284 10 10 EGCERO CC[C@@H](C)[NH2+][C@H](CNC(=O)NCc1c(O)cccc1F)c1ccco1 ZINC000922423669 1322526097 /nfs/dbraw/zinc/52/60/97/1322526097.db2.gz HNNPUTNHWDVFFN-IUODEOHRSA-N 1 0 349.406 3.053 10 10 EGCERO CC(C)[C@@H]1COCC[C@@H]1[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000924707161 1323124310 /nfs/dbraw/zinc/12/43/10/1323124310.db2.gz KTOVWQURYJCAGP-OALUTQOASA-N 1 0 334.529 3.391 10 10 EGCERO COc1ccc(N2CC[C@H](C[NH2+][C@H]3CCOC[C@H]3C(C)C)C2)cc1 ZINC000926613539 1327635990 /nfs/dbraw/zinc/63/59/90/1327635990.db2.gz URDWNVRHDVKUAJ-UXPWSPDFSA-N 1 0 332.488 3.172 10 10 EGCERO COc1ccc(N2CC[C@@H]([NH2+][C@@H](C)c3cn4c(n3)CCCC4)C2)cc1 ZINC000926680600 1327664901 /nfs/dbraw/zinc/66/49/01/1327664901.db2.gz PTXYQZDFGIITPF-JKSUJKDBSA-N 1 0 340.471 3.158 10 10 EGCERO C[C@H]([NH2+]C[C@]1(C)CCCCO1)c1ccc(N2CCOCC2)c(F)c1 ZINC000927020810 1327823930 /nfs/dbraw/zinc/82/39/30/1327823930.db2.gz LRTIEGOJVUGRRU-KXBFYZLASA-N 1 0 336.451 3.272 10 10 EGCERO O=C(NCc1c(O)cccc1F)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000928710396 1328405639 /nfs/dbraw/zinc/40/56/39/1328405639.db2.gz CWDFGZBSOHQJBN-MRXNPFEDSA-N 1 0 342.414 3.060 10 10 EGCERO Oc1cccc(Br)c1C[NH+]1CCC(c2c[nH]cn2)CC1 ZINC000862246507 1329470550 /nfs/dbraw/zinc/47/05/50/1329470550.db2.gz PMRRUVFXEWDRTB-UHFFFAOYSA-N 1 0 336.233 3.257 10 10 EGCERO CCCN(Cc1cccc(C(=O)OCC)n1)c1ccc(C[NH3+])cc1 ZINC000862348246 1329476194 /nfs/dbraw/zinc/47/61/94/1329476194.db2.gz HQDFEILBDZGUSC-UHFFFAOYSA-N 1 0 327.428 3.134 10 10 EGCERO COC(=O)Cc1ccc(C[NH2+]Cc2ccc(N(C)C)cc2C)cc1 ZINC000862447164 1329488076 /nfs/dbraw/zinc/48/80/76/1329488076.db2.gz LKDHWZALNCVLNJ-UHFFFAOYSA-N 1 0 326.440 3.066 10 10 EGCERO Cc1ccc(O)c(C[NH2+]C[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)c1 ZINC000862478648 1329489704 /nfs/dbraw/zinc/48/97/04/1329489704.db2.gz KYGUCXLKWAWTPA-LJQANCHMSA-N 1 0 334.460 3.437 10 10 EGCERO FC(F)c1ccc(C[NH2+]Cc2ccc(N3CCOCC3)cc2)cn1 ZINC000865428397 1329696112 /nfs/dbraw/zinc/69/61/12/1329696112.db2.gz TUXJDDXOSBHLBG-UHFFFAOYSA-N 1 0 333.382 3.146 10 10 EGCERO COc1ccc(N2CCC([NH2+][C@@H](C3CCC3)[C@H]3CCOC3)CC2)cc1 ZINC000865758703 1329735551 /nfs/dbraw/zinc/73/55/51/1329735551.db2.gz BUTSELCMJPFYMC-UWJYYQICSA-N 1 0 344.499 3.459 10 10 EGCERO Cc1cc(O)c(C[NH2+]C[C@H]2CC3(CO2)CCOCC3)c(Cl)c1 ZINC000865779361 1329737532 /nfs/dbraw/zinc/73/75/32/1329737532.db2.gz HIPLHUCNWPLOIG-CYBMUJFWSA-N 1 0 325.836 3.029 10 10 EGCERO CC1(c2ccc(C[NH2+][C@H]3CCc4cccc(O)c43)cc2)OCCO1 ZINC000866422362 1330109782 /nfs/dbraw/zinc/10/97/82/1330109782.db2.gz CDLNLBWTWYCGBS-KRWDZBQOSA-N 1 0 325.408 3.389 10 10 EGCERO Cc1c(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccccc2O)cccc1[N+](=O)[O-] ZINC001197003454 1368729537 /nfs/dbraw/zinc/72/95/37/1368729537.db2.gz HMOPVLOPWKGDPH-STQMWFEESA-N 1 0 343.383 3.287 10 10 EGCERO CC[C@H]1C[N@H+](Cc2ccc(N3CCCC3)cc2)CCN1CC(F)F ZINC001116444930 1370912990 /nfs/dbraw/zinc/91/29/90/1370912990.db2.gz IDUCLVZAICXHCT-KRWDZBQOSA-N 1 0 337.458 3.448 10 10 EGCERO OC[C@@]1(C[NH2+]Cc2ccc(N3CCCC3)cc2)CCc2ccccc21 ZINC001326517834 1388226416 /nfs/dbraw/zinc/22/64/16/1388226416.db2.gz CBOMYVVVQSMIBT-QFIPXVFZSA-N 1 0 336.479 3.253 10 10 EGCERO CN(C)c1ccc([C@@H](CNC(=O)C(C)(C)C2CCC2)[NH+](C)C)cc1 ZINC001134882006 1376765699 /nfs/dbraw/zinc/76/56/99/1376765699.db2.gz JWFYGSZFHZQDNX-GOSISDBHSA-N 1 0 331.504 3.298 10 10 EGCERO CCN(CC)c1ccc(CNC(=O)C[NH+]2CCC(C)CC2)cc1F ZINC001144977134 1378785683 /nfs/dbraw/zinc/78/56/83/1378785683.db2.gz BVNFSZLFWDXBLD-UHFFFAOYSA-N 1 0 335.467 3.020 10 10 EGCERO C[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3CCCCC3(C)C)cc2)CC1 ZINC001288334548 1381782681 /nfs/dbraw/zinc/78/26/81/1381782681.db2.gz KINOKQGOWSBMLM-IBGZPJMESA-N 1 0 343.515 3.271 10 10 EGCERO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]Cc1ccc2oc(=O)n(C)c2c1 ZINC001328799039 1388868940 /nfs/dbraw/zinc/86/89/40/1388868940.db2.gz IHFCZAVRUBVQDS-TZMCWYRMSA-N 1 0 338.407 3.484 10 10 EGCERO C[C@@H]([NH2+]CC(=O)NCc1ccc(N(C)C)cc1)C1CCCCCC1 ZINC001307668237 1384010744 /nfs/dbraw/zinc/01/07/44/1384010744.db2.gz IAXWWHWDZJLOFP-MRXNPFEDSA-N 1 0 331.504 3.317 10 10 EGCERO COc1cc2c(cc1O)CC[N@H+](Cc1ccc(N(C)C)c(C)c1)C2 ZINC001308081534 1384087679 /nfs/dbraw/zinc/08/76/79/1384087679.db2.gz FBQHLAVZYFRSTF-UHFFFAOYSA-N 1 0 326.440 3.334 10 10 EGCERO COc1ccc(C[NH2+]CCN(C)C(=O)C=C2CCCCC2)cc1C ZINC001317572549 1385345863 /nfs/dbraw/zinc/34/58/63/1385345863.db2.gz MERFLXDENCVGCG-UHFFFAOYSA-N 1 0 330.472 3.442 10 10 EGCERO CCOC(=O)c1cc(C[NH2+][C@H]2C[C@@H](C)c3c2c(O)ccc3C)on1 ZINC001329375386 1389083432 /nfs/dbraw/zinc/08/34/32/1389083432.db2.gz KYJVRFGYWMPEPH-YPMHNXCESA-N 1 0 330.384 3.203 10 10 EGCERO COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)c2c(C)coc2C)cc1C ZINC001331439110 1389749173 /nfs/dbraw/zinc/74/91/73/1389749173.db2.gz DLGSXFMECYTYNH-OAHLLOKOSA-N 1 0 344.455 3.464 10 10 EGCERO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]CCN1C[C@H]2CCCCN2C1=O ZINC001333327617 1390284717 /nfs/dbraw/zinc/28/47/17/1390284717.db2.gz NYWBJRDCYMJBAL-OAGGEKHMSA-N 1 0 343.471 3.129 10 10 EGCERO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001352943111 1391889359 /nfs/dbraw/zinc/88/93/59/1391889359.db2.gz AQMHUYKWZTVTEM-IBGZPJMESA-N 1 0 331.504 3.362 10 10 EGCERO COc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)[C@H]2CCC2(C)C)cc1C ZINC001698854977 1406560792 /nfs/dbraw/zinc/56/07/92/1406560792.db2.gz XDBANVNMRJXHNR-DOTOQJQBSA-N 1 0 332.488 3.376 10 10 EGCERO COc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)[C@H](C)C2CCC2)cc1C ZINC001482297665 1394874116 /nfs/dbraw/zinc/87/41/16/1394874116.db2.gz DEASICWUCJLWSU-JKSUJKDBSA-N 1 0 332.488 3.376 10 10 EGCERO COc1ccc(C[NH2+]C[C@@H](CC(C)C)NC(=O)[C@@H]2C[C@H]2C)cc1C ZINC001482390375 1394950092 /nfs/dbraw/zinc/95/00/92/1394950092.db2.gz IRGIYZVRDWBOCA-ZTFGCOKTSA-N 1 0 332.488 3.280 10 10 EGCERO COc1ccc(C[NH2+]C[C@H](CC(C)C)NC(=O)[C@H]2CC23CC3)cc1C ZINC001482391628 1394951870 /nfs/dbraw/zinc/95/18/70/1394951870.db2.gz BOSYJCXDWDGYDZ-ZWKOTPCHSA-N 1 0 344.499 3.424 10 10 EGCERO CCCCC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001494876585 1396505361 /nfs/dbraw/zinc/50/53/61/1396505361.db2.gz PDZUJBXHDNRIER-MRXNPFEDSA-N 1 0 345.447 3.186 10 10 EGCERO CCCC[NH2+][C@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@@H]1C ZINC001496373117 1396673823 /nfs/dbraw/zinc/67/38/23/1396673823.db2.gz CKTUQPDJBOPRIO-BBRMVZONSA-N 1 0 345.447 3.089 10 10 EGCERO COc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)C=C3CCC3)C2)cc1C ZINC001691577626 1405344103 /nfs/dbraw/zinc/34/41/03/1405344103.db2.gz UPVBXVASBDVWGS-RBUKOAKNSA-N 1 0 342.483 3.488 10 10 EGCERO COc1ccc(C[NH2+]C[C@@](C)(NC(=O)[C@@H]2C[C@H]2C)C2CC2)cc1C ZINC001732249679 1428491753 /nfs/dbraw/zinc/49/17/53/1428491753.db2.gz ZWKHQXHNWDUTJW-YXKFXFPPSA-N 1 0 330.472 3.034 10 10 EGCERO CCN(CC[NH2+]Cc1ccc(OC)c(C)c1)C(=O)c1cc(C)oc1C ZINC001699169385 1412549955 /nfs/dbraw/zinc/54/99/55/1412549955.db2.gz STTRNNNWJBINKT-UHFFFAOYSA-N 1 0 344.455 3.465 10 10 EGCERO COc1ccc(C[NH2+]C[C@@]2(C)CCN(C(=O)C=C(C)C)C2)cc1C ZINC001699828745 1413257224 /nfs/dbraw/zinc/25/72/24/1413257224.db2.gz JXMIJDLFVBCHMB-HXUWFJFHSA-N 1 0 330.472 3.298 10 10 EGCERO CC[C@@H](F)C(=O)N1CC[C@@H](CC[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001700074156 1413488415 /nfs/dbraw/zinc/48/84/15/1413488415.db2.gz GGCXXVFAXLBFQA-NVXWUHKLSA-N 1 0 336.451 3.080 10 10 EGCERO COc1ccc(C[NH2+]CC2CC(NC(=O)[C@H](C)C(C)C)C2)cc1C ZINC001700379334 1413906366 /nfs/dbraw/zinc/90/63/66/1413906366.db2.gz UXCNJZSDRBJVDL-FAEJEUNOSA-N 1 0 332.488 3.280 10 10 EGCERO CC(C)CCC[NH2+][C@@H](C)[C@@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001700430584 1413992372 /nfs/dbraw/zinc/99/23/72/1413992372.db2.gz MRLHZWGEFQLILV-UONOGXRCSA-N 1 0 347.463 3.382 10 10 EGCERO COc1ccc(C[NH2+]C/C=C/CNC(=O)c2ccc(C)s2)cc1C ZINC001732818313 1428993816 /nfs/dbraw/zinc/99/38/16/1428993816.db2.gz TVXJGCSDGIFODV-SNAWJCMRSA-N 1 0 344.480 3.449 10 10 EGCERO CCc1occc1C(=O)N(C)CC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001713588076 1418384951 /nfs/dbraw/zinc/38/49/51/1418384951.db2.gz OKOWSMUNFBTULH-UHFFFAOYSA-N 1 0 330.428 3.021 10 10 EGCERO COc1ccc(C[NH2+][C@H](CNC(=O)C=C2CCC2)C2CC2)cc1C ZINC001713863221 1418660470 /nfs/dbraw/zinc/66/04/70/1418660470.db2.gz BBTCXOHWIGKZMM-GOSISDBHSA-N 1 0 328.456 3.098 10 10 EGCERO COc1ccc(C[NH2+]CCN(C)C(=O)C[C@@H]2CC[C@H](C)C2)cc1C ZINC001714747180 1419492169 /nfs/dbraw/zinc/49/21/69/1419492169.db2.gz QYNFJMPOGDIJEH-DOTOQJQBSA-N 1 0 332.488 3.378 10 10 EGCERO CC[C@@H](CNC(=O)c1cnc(C)s1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001715047617 1419788469 /nfs/dbraw/zinc/78/84/69/1419788469.db2.gz LDELKZXANLEFLF-HNNXBMFYSA-N 1 0 347.484 3.067 10 10 EGCERO COc1ccc(C[NH2+]C2(CNC(=O)c3oc(C)cc3C)CC2)cc1C ZINC001733240998 1429383377 /nfs/dbraw/zinc/38/33/77/1429383377.db2.gz JKESUKSWEQAPQS-UHFFFAOYSA-N 1 0 342.439 3.266 10 10 EGCERO COc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)[C@H](C)C(C)(F)F)cc1C ZINC001715366046 1420063104 /nfs/dbraw/zinc/06/31/04/1420063104.db2.gz UMGDESDVSHIMLZ-KBPBESRZSA-N 1 0 342.430 3.231 10 10 EGCERO COc1ccc(C[NH2+]CC[C@@H](C)NC(=O)/C=C\c2ccco2)cc1C ZINC001715617837 1420266621 /nfs/dbraw/zinc/26/66/21/1420266621.db2.gz GGOGOYPWXXUCBO-DZFYGRHCSA-N 1 0 342.439 3.294 10 10 EGCERO COc1ccc(C[NH2+]CC[C@H](C)NC(=O)c2ncccc2C)cc1C ZINC001715639174 1420274885 /nfs/dbraw/zinc/27/48/85/1420274885.db2.gz XLKARKSOWMFNAF-INIZCTEOSA-N 1 0 341.455 3.005 10 10 EGCERO CCC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001722958242 1424280135 /nfs/dbraw/zinc/28/01/35/1424280135.db2.gz WJPYSMLWMWRWHB-GOEBONIOSA-N 1 0 345.447 3.137 10 10 EGCERO COc1ccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)c2cc(Cl)c[nH]2)cc1C ZINC001725078367 1425517300 /nfs/dbraw/zinc/51/73/00/1425517300.db2.gz FEQXKKHXEXMNNW-QWHCGFSZSA-N 1 0 349.862 3.282 10 10 EGCERO CCCCC[NH2+][C@@H](C)[C@@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001725129264 1425597063 /nfs/dbraw/zinc/59/70/63/1425597063.db2.gz NZWWUMZQYBIGHL-QWHCGFSZSA-N 1 0 333.436 3.136 10 10 EGCERO COc1ccc(C[NH2+]C[C@@H](C2CC2)N(C)C(=O)[C@@H]2CC23CC3)cc1C ZINC001725466481 1426134220 /nfs/dbraw/zinc/13/42/20/1426134220.db2.gz HYHUZNIAZIAICM-ROUUACIJSA-N 1 0 342.483 3.130 10 10 EGCERO COc1ccc(C[NH2+]C[C@H](C2CC2)N(C)C(=O)[C@H]2CC23CC3)cc1C ZINC001725466480 1426134673 /nfs/dbraw/zinc/13/46/73/1426134673.db2.gz HYHUZNIAZIAICM-QZTJIDSGSA-N 1 0 342.483 3.130 10 10 EGCERO COc1ccc(C[NH2+][C@@H]2CCC[C@@H](NC(=O)C=C(C)C)C2)cc1C ZINC001731687113 1427735086 /nfs/dbraw/zinc/73/50/86/1427735086.db2.gz XCTDLJOWKOALOV-QZTJIDSGSA-N 1 0 330.472 3.487 10 10 EGCERO COc1ccc(C[NH2+]CCN(C)C(=O)c2cc(F)ccc2F)cc1C ZINC001731918850 1428170461 /nfs/dbraw/zinc/17/04/61/1428170461.db2.gz BVSIUDIDEVBADX-UHFFFAOYSA-N 1 0 348.393 3.144 10 10 EGCERO COc1ccc(C[NH2+][C@@H](C)[C@H](C)NC(=O)C2(CCF)CC2)cc1C ZINC001733986882 1437783048 /nfs/dbraw/zinc/78/30/48/1437783048.db2.gz YTSANGRANBMVTB-GJZGRUSLSA-N 1 0 336.451 3.126 10 10 EGCERO CCN1c2ccc(NC(C)=O)cc2S/C1=C\c1cccc[n+]1C ZINC000005124101 210395200 /nfs/dbraw/zinc/39/52/00/210395200.db2.gz BKFAVCAMHKFIGW-UHFFFAOYSA-O 1 0 326.445 3.400 10 10 EGCERO COc1cc(Cl)cc(C[NH2+]C[C@@]2(C)COc3ccccc3O2)c1O ZINC000529637068 313375622 /nfs/dbraw/zinc/37/56/22/313375622.db2.gz NGUKPDVTCWRVOY-SFHVURJKSA-N 1 0 349.814 3.374 10 10 EGCERO CCn1cc([C@H]2C[N@H+](Cc3c(O)ccc4ccccc43)CCO2)cn1 ZINC000189848226 455245895 /nfs/dbraw/zinc/24/58/95/455245895.db2.gz RJUOSRSOPPUROR-HXUWFJFHSA-N 1 0 337.423 3.335 10 10 EGCERO Cc1ccc(O)c(C[N@H+]2CC[C@H](CN(C)Cc3cccnc3)C2)c1 ZINC000190473130 455327270 /nfs/dbraw/zinc/32/72/70/455327270.db2.gz FCXKUHLIHZXDMF-GOSISDBHSA-N 1 0 325.456 3.050 10 10 EGCERO Cc1occc1C(=O)NC1CC[NH+](Cc2c(O)cccc2Cl)CC1 ZINC000130969744 454228799 /nfs/dbraw/zinc/22/87/99/454228799.db2.gz JAYCITXOHQNTOD-UHFFFAOYSA-N 1 0 348.830 3.341 10 10 EGCERO COc1cc(OC)cc([C@H]2CC[N@H+](Cc3cccc(OC)c3O)C2)c1 ZINC000093838053 454737233 /nfs/dbraw/zinc/73/72/33/454737233.db2.gz CICKLJTZYYSNEX-AWEZNQCLSA-N 1 0 343.423 3.408 10 10 EGCERO CCN(C)c1ccc([C@@H](C)[NH2+][C@@H]2CCCN(c3ncccn3)C2)cc1 ZINC000178191317 454941659 /nfs/dbraw/zinc/94/16/59/454941659.db2.gz TVXMXCCGFIQYRN-SJLPKXTDSA-N 1 0 339.487 3.252 10 10 EGCERO CCN(C)c1ccc([C@@H](C)[NH2+]C2CCN(c3ncccn3)CC2)cc1 ZINC000155891094 455058079 /nfs/dbraw/zinc/05/80/79/455058079.db2.gz RITZYNPKBVEACX-MRXNPFEDSA-N 1 0 339.487 3.252 10 10 EGCERO Cc1ncsc1CN(C)C[C@@H]1CC[N@H+](Cc2ccccc2O)C1 ZINC000190468584 455326114 /nfs/dbraw/zinc/32/61/14/455326114.db2.gz OPIGFKMHBICOBM-HNNXBMFYSA-N 1 0 331.485 3.111 10 10 EGCERO CCN(CC)c1ccc(CNC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000174133470 455362723 /nfs/dbraw/zinc/36/27/23/455362723.db2.gz QPDOPYWBHHYWQB-VQIMIIECSA-N 1 0 346.519 3.157 10 10 EGCERO FC(F)Oc1ccc(N2CCC[C@H]([NH2+][C@H]3CCSC3)C2)cc1 ZINC000246821005 455527442 /nfs/dbraw/zinc/52/74/42/455527442.db2.gz APPFXEAPAPMXMF-STQMWFEESA-N 1 0 328.428 3.352 10 10 EGCERO C[C@H]([NH2+][C@@H]1CCCN(c2cnn(C)c2)C1)c1cc(Cl)ccc1O ZINC000185552229 455577281 /nfs/dbraw/zinc/57/72/81/455577281.db2.gz GOPLSVKMTVYZTK-GXTWGEPZSA-N 1 0 334.851 3.099 10 10 EGCERO C[C@H]([NH2+][C@@H](CO)C[C@H](O)C(C)(C)C)c1ccc(N2CCCCC2)cc1 ZINC000284278457 455661934 /nfs/dbraw/zinc/66/19/34/455661934.db2.gz HJWLNPVGKWDDQX-HQRMLTQVSA-N 1 0 348.531 3.486 10 10 EGCERO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccn(Cc3ccccc3)n2)c1 ZINC000284380045 455676218 /nfs/dbraw/zinc/67/62/18/455676218.db2.gz OHGRRVNHTSELSR-OAHLLOKOSA-N 1 0 337.423 3.496 10 10 EGCERO C[C@H]([NH2+][C@@H](CO)C[C@H](O)C(C)(C)C)c1ccc2ccccc2c1O ZINC000284494029 455695451 /nfs/dbraw/zinc/69/54/51/455695451.db2.gz VKLURMYUMQEFDH-JOQOYGCGSA-N 1 0 331.456 3.354 10 10 EGCERO CC[C@H]([NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F)[C@@H](O)C(F)F ZINC000295062773 455838041 /nfs/dbraw/zinc/83/80/41/455838041.db2.gz OMLPXSSACZPHJX-QWHCGFSZSA-N 1 0 340.336 3.266 10 10 EGCERO CC[C@@H]([NH2+][C@H](Cc1ccccc1)C(=O)N(C)C)c1ccc(C)cc1O ZINC000279966101 455879525 /nfs/dbraw/zinc/87/95/25/455879525.db2.gz CPNJTBCKZISDKL-RTBURBONSA-N 1 0 340.467 3.441 10 10 EGCERO N=COc1ccc([C@H]2C(=N)C(/N=N/c3ccccn3)=NC(=N)C2=[NH2+])cc1 ZINC000299754833 456778770 /nfs/dbraw/zinc/77/87/70/456778770.db2.gz XBBKSCBSRRHRHW-UUBTZTFBSA-N 1 0 346.354 3.364 10 10 EGCERO CC[C@H]([NH2+]C[C@@H]1CCC2(CCOCC2)[C@H]1O)c1ccc(N(C)C)cc1 ZINC000283493662 456792058 /nfs/dbraw/zinc/79/20/58/456792058.db2.gz YGNIPANECXPWAJ-IHPCNDPISA-N 1 0 346.515 3.361 10 10 EGCERO O=C([C@H]1CC12CC[NH+](Cc1ccccc1O)CC2)N1CCCCC1 ZINC000378535310 457406248 /nfs/dbraw/zinc/40/62/48/457406248.db2.gz QNZHUBWOZDGUSZ-QGZVFWFLSA-N 1 0 328.456 3.007 10 10 EGCERO CCN(CC)c1ccc(C[N@@H+]2CCCC[C@H]2[C@@H]2CNC(=O)C2)cc1 ZINC000361106436 457584619 /nfs/dbraw/zinc/58/46/19/457584619.db2.gz UXKWVHOMRZENSE-HKUYNNGSSA-N 1 0 329.488 3.023 10 10 EGCERO COc1cc(O)c(C[NH2+][C@H](c2ccccc2)[C@@H]2CCOC2)cc1OC ZINC000362040592 458020735 /nfs/dbraw/zinc/02/07/35/458020735.db2.gz PZVPZDYRUPZGSQ-FOIQADDNSA-N 1 0 343.423 3.277 10 10 EGCERO Cc1ccc([C@H](C)[NH2+][C@@H]2CCCN(c3cnn(C)c3)C2)c(O)c1C ZINC000368316223 458026077 /nfs/dbraw/zinc/02/60/77/458026077.db2.gz OHGYDCZZMUNPLW-JKSUJKDBSA-N 1 0 328.460 3.062 10 10 EGCERO Oc1ccccc1C[NH2+]C1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000373485485 458506741 /nfs/dbraw/zinc/50/67/41/458506741.db2.gz OAEOLZIYYDHYED-UHFFFAOYSA-N 1 0 328.378 3.287 10 10 EGCERO CCOc1ccc(O)c(C[NH2+]C[C@@]2(C)COc3ccccc3O2)c1 ZINC000527737321 459719690 /nfs/dbraw/zinc/71/96/90/459719690.db2.gz UKKJGACOPXFJIH-IBGZPJMESA-N 1 0 329.396 3.111 10 10 EGCERO Cc1cc(O)c(C[NH2+]C[C@@H]2c3ccccc3C(=O)N2C)c(Cl)c1 ZINC000527805086 459743602 /nfs/dbraw/zinc/74/36/02/459743602.db2.gz CDQBDMZBFIOJGO-MRXNPFEDSA-N 1 0 330.815 3.271 10 10 EGCERO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2ccccn2)C1 ZINC000563345114 459764372 /nfs/dbraw/zinc/76/43/72/459764372.db2.gz WIIYEFNREUZNSG-UHFFFAOYSA-N 1 0 348.450 3.442 10 10 EGCERO COc1cccc([C@@H](C)[NH2+]C[C@@]2(C)COc3ccccc3O2)c1O ZINC000527932935 459775431 /nfs/dbraw/zinc/77/54/31/459775431.db2.gz RLRWUNKBHIBKDL-YJYMSZOUSA-N 1 0 329.396 3.282 10 10 EGCERO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000730825830 575025681 /nfs/dbraw/zinc/02/56/81/575025681.db2.gz HOEBYKDPHGGPPP-CALCHBBNSA-N 1 0 346.519 3.157 10 10 EGCERO CC(C)n1cc([C@H](C)[NH2+]Cc2ccc(N3CCOCC3)cc2)cn1 ZINC000732820963 575289648 /nfs/dbraw/zinc/28/96/48/575289648.db2.gz QVBRJEZRVDTQDY-INIZCTEOSA-N 1 0 328.460 3.151 10 10 EGCERO Cc1cc(F)ccc1N1CCC[C@@H]([N@H+](C)Cc2ccccc2O)C1=O ZINC000735309090 575639039 /nfs/dbraw/zinc/63/90/39/575639039.db2.gz FPLVBZJZPWYXEE-GOSISDBHSA-N 1 0 342.414 3.467 10 10 EGCERO COc1cc(C)cc(C[N@@H+]2CCN(C)C[C@@H]2c2ccccc2)c1O ZINC000164114003 1294344129 /nfs/dbraw/zinc/34/41/29/1294344129.db2.gz MGBKYSMMDXUKEE-GOSISDBHSA-N 1 0 326.440 3.198 10 10 EGCERO COc1ccc(O)c([C@H](C)[NH2+]Cc2nccn2Cc2ccccc2)c1 ZINC000182464356 1295050406 /nfs/dbraw/zinc/05/04/06/1295050406.db2.gz WZTNULAKSJEFJK-HNNXBMFYSA-N 1 0 337.423 3.496 10 10 EGCERO Cc1cc([C@H]([NH3+])CC(=O)N[C@H](C)c2ccccc2O)cc(Cl)n1 ZINC000870988220 1296165547 /nfs/dbraw/zinc/16/55/47/1296165547.db2.gz JFEXPLCSWUUMRR-BXUZGUMPSA-N 1 0 333.819 3.016 10 10 EGCERO CC[C@H]([NH2+]C1CCN(c2ccc(OC)cc2)CC1)[C@@H]1CCCOC1 ZINC000872030603 1296678958 /nfs/dbraw/zinc/67/89/58/1296678958.db2.gz IIJZKDMAZRXAPM-UZLBHIALSA-N 1 0 332.488 3.459 10 10 EGCERO OC1CCN(c2ccc(C[NH2+][C@@H]3CCOC4(CCCC4)C3)cc2)CC1 ZINC000872089452 1296728244 /nfs/dbraw/zinc/72/82/44/1296728244.db2.gz XYIVADDCFVNRMK-GOSISDBHSA-N 1 0 344.499 3.229 10 10 EGCERO COCC(C)(C)CC[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000872105926 1296733540 /nfs/dbraw/zinc/73/35/40/1296733540.db2.gz MXKLOOJNLJEPOZ-OAHLLOKOSA-N 1 0 338.467 3.376 10 10 EGCERO c1cc(C[NH2+]CC[C@H]2CCC3(CCOCC3)CO2)cc2c1OCC2 ZINC000886300449 1303426577 /nfs/dbraw/zinc/42/65/77/1303426577.db2.gz IGDCRTYEQHQFBP-GOSISDBHSA-N 1 0 331.456 3.077 10 10 EGCERO COc1cc(C)cc(C[NH2+][C@@H]2CCN(c3ncccc3Cl)C2)c1O ZINC000894346914 1306354077 /nfs/dbraw/zinc/35/40/77/1306354077.db2.gz XGRYMIOBGHFPDT-CQSZACIVSA-N 1 0 347.846 3.126 10 10 EGCERO COc1cc(C)cc(C[NH2+][C@H](C)[C@@H](C)NC(=O)OC(C)(C)C)c1O ZINC000894881441 1309113533 /nfs/dbraw/zinc/11/35/33/1309113533.db2.gz PEVARGGUYBKTFE-CHWSQXEVSA-N 1 0 338.448 3.101 10 10 EGCERO COC(=O)c1c(C[NH2+][C@H]2CCS[C@H]2C)c2cc(F)ccc2n1C ZINC000895087671 1309187189 /nfs/dbraw/zinc/18/71/89/1309187189.db2.gz FOBWLFUOKQCWIT-HZMBPMFUSA-N 1 0 336.432 3.088 10 10 EGCERO Oc1cccc(Br)c1C[N@@H+]1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000895844117 1309551615 /nfs/dbraw/zinc/55/16/15/1309551615.db2.gz METVVMGFEQVVTF-ABAIWWIYSA-N 1 0 326.234 3.156 10 10 EGCERO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000896881276 1310066913 /nfs/dbraw/zinc/06/69/13/1310066913.db2.gz HBNIMJIFNKRZPD-OLZOCXBDSA-N 1 0 346.452 3.011 10 10 EGCERO COc1cccc(CN2C[C@@H]([NH+](C)C)CCc3ccccc32)c1O ZINC000857899245 1328618542 /nfs/dbraw/zinc/61/85/42/1328618542.db2.gz AIMKBKUBFQWDFI-KRWDZBQOSA-N 1 0 326.440 3.284 10 10 EGCERO Cc1ccc(O[C@H]2CC[N@@H+](Cc3ccc(N(C)C)cc3C)C2)nc1 ZINC000858015089 1328659157 /nfs/dbraw/zinc/65/91/57/1328659157.db2.gz WBXWJFZMNGZIDR-IBGZPJMESA-N 1 0 325.456 3.418 10 10 EGCERO COc1cccc(C[N@@H+]2CC[C@H](Oc3ccc(C4CC4)cn3)C2)c1O ZINC000858013521 1328659291 /nfs/dbraw/zinc/65/92/91/1328659291.db2.gz DYHHEJYRCLDYLC-KRWDZBQOSA-N 1 0 340.423 3.327 10 10 EGCERO Oc1ccccc1C[NH2+]C[C@@H]1CN(c2ccc(Cl)cc2)CCO1 ZINC000858245908 1328721085 /nfs/dbraw/zinc/72/10/85/1328721085.db2.gz YHMSHPYXZJOAEK-QGZVFWFLSA-N 1 0 332.831 3.041 10 10 EGCERO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@](C)(O)C(F)(F)C(F)(F)F)c1 ZINC000930217226 1328813853 /nfs/dbraw/zinc/81/38/53/1328813853.db2.gz TYGWSOFZTWKDJS-PRHODGIISA-N 1 0 343.292 3.000 10 10 EGCERO c1ccc(C2=CCC[N@@H+](Cc3ccc(N4CCOCC4)cc3)C2)nc1 ZINC000930570705 1328900186 /nfs/dbraw/zinc/90/01/86/1328900186.db2.gz SKHNMLHTIXPIGZ-UHFFFAOYSA-N 1 0 335.451 3.208 10 10 EGCERO C[N@H+](CCOC1CCOCC1)Cc1ccc(N2CCCCC2)cc1 ZINC000859060803 1328915764 /nfs/dbraw/zinc/91/57/64/1328915764.db2.gz ZCPVJVKQQUTFBG-UHFFFAOYSA-N 1 0 332.488 3.304 10 10 EGCERO COc1ccc(N2CC[C@H]([NH2+][C@@H]3CC[C@@H]4COCC[C@@H]4C3)C2)cc1 ZINC000922238295 1322485562 /nfs/dbraw/zinc/48/55/62/1322485562.db2.gz SBWBDEAVTVCCSE-TVFCKZIOSA-N 1 0 330.472 3.069 10 10 EGCERO C[NH+](C)CC[C@@H](NCc1ccc2c(c1)CCCO2)c1cccnc1 ZINC000922630812 1322575443 /nfs/dbraw/zinc/57/54/43/1322575443.db2.gz RZAMKVRMEKAPBG-LJQANCHMSA-N 1 0 325.456 3.189 10 10 EGCERO C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1ccnn1C1CCC1 ZINC000924753634 1323145616 /nfs/dbraw/zinc/14/56/16/1323145616.db2.gz ZHZSQXIAEHPCAX-MRXNPFEDSA-N 1 0 340.471 3.296 10 10 EGCERO C[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1)c1ccns1 ZINC000924758790 1323148375 /nfs/dbraw/zinc/14/83/75/1323148375.db2.gz AZRQTTUBDKOAHH-GFCCVEGCSA-N 1 0 335.448 3.094 10 10 EGCERO CCN(CC)c1ccc(C[NH2+][C@H]2CCOC23CCOCC3)cc1F ZINC000925011601 1323244315 /nfs/dbraw/zinc/24/43/15/1323244315.db2.gz BYOJHSHJEUPRKT-SFHVURJKSA-N 1 0 336.451 3.100 10 10 EGCERO C[C@@H](N[C@@H]1C[NH2+]CC2(CCOCC2)C1)c1cc2c(cc1O)CCCC2 ZINC000925795390 1325304190 /nfs/dbraw/zinc/30/41/90/1325304190.db2.gz XOKRVTPBJQXTOW-QAPCUYQASA-N 1 0 344.499 3.080 10 10 EGCERO O=C1C[C@@H](CC[NH2+][C@H](CCc2ccccc2)c2ccccc2O)CN1 ZINC000926977097 1327805385 /nfs/dbraw/zinc/80/53/85/1327805385.db2.gz CKWPTHPUEPFZGK-IEBWSBKVSA-N 1 0 338.451 3.182 10 10 EGCERO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N(Cc1ccccc1O)C1CCCCC1 ZINC000861674810 1329435673 /nfs/dbraw/zinc/43/56/73/1329435673.db2.gz WAEXCDCXCIWWFT-ZWKOTPCHSA-N 1 0 345.487 3.377 10 10 EGCERO C[C@@H]1CC[C@H](NC(=O)N(Cc2ccccc2O)C2CCCCC2)C[NH2+]1 ZINC000861686912 1329436400 /nfs/dbraw/zinc/43/64/00/1329436400.db2.gz VCHWDIANMANTHZ-WBVHZDCISA-N 1 0 345.487 3.377 10 10 EGCERO C[C@H]1CC[C@@H](NC(=O)N(Cc2ccccc2O)C2CCCCC2)C[NH2+]1 ZINC000861686909 1329436427 /nfs/dbraw/zinc/43/64/27/1329436427.db2.gz VCHWDIANMANTHZ-DOTOQJQBSA-N 1 0 345.487 3.377 10 10 EGCERO CC(=O)NCC1CCC([NH2+]Cc2ccc(N3CCCC3)cc2)CC1 ZINC000865412548 1329693383 /nfs/dbraw/zinc/69/33/83/1329693383.db2.gz PJCVPCJXQHBYQS-UHFFFAOYSA-N 1 0 329.488 3.071 10 10 EGCERO CCN(CC)c1ccc(C[NH2+]C[C@H]2CC3(CO2)CCOCC3)cc1 ZINC000865782158 1329738133 /nfs/dbraw/zinc/73/81/33/1329738133.db2.gz YOHOOCUFJZXTHR-LJQANCHMSA-N 1 0 332.488 3.208 10 10 EGCERO c1cc(N2CCOCC2)ccc1C[N@@H+]1CCCSC[C@@H]1C1CC1 ZINC000933911641 1329932621 /nfs/dbraw/zinc/93/26/21/1329932621.db2.gz DLAFMXIDAJFBLP-LJQANCHMSA-N 1 0 332.513 3.241 10 10 EGCERO Cc1ccc([C@H](C)[NH2+][C@H]2C[C@H](S(=O)(=O)c3ccccc3)C2)c(O)c1 ZINC000866516257 1330121001 /nfs/dbraw/zinc/12/10/01/1330121001.db2.gz BSMGDVVLHUQOHU-ZOBUZTSGSA-N 1 0 345.464 3.356 10 10 EGCERO CC[C@H](C[C@@H](C)O)[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000866635609 1330136269 /nfs/dbraw/zinc/13/62/69/1330136269.db2.gz RTCFCMFQKNOWLK-RBSFLKMASA-N 1 0 340.895 3.377 10 10 EGCERO C[C@@H](NC(=O)Nc1ccc2c(c1F)CC[NH2+]C2)c1ccccc1O ZINC000868166031 1330257921 /nfs/dbraw/zinc/25/79/21/1330257921.db2.gz AMHYUCPPHUMFEG-LLVKDONJSA-N 1 0 329.375 3.060 10 10 EGCERO COc1ccc(C[NH2+]C2(CNC(=O)[C@H]3CCC3(C)C)CC2)cc1C ZINC001323518148 1387380638 /nfs/dbraw/zinc/38/06/38/1387380638.db2.gz GYOUKCSUGWBBIU-MRXNPFEDSA-N 1 0 330.472 3.178 10 10 EGCERO COc1cccc([C@@]2(C)CC[N@H+](Cc3cc4c(cc3O)OCO4)C2)c1 ZINC001118531694 1371194479 /nfs/dbraw/zinc/19/44/79/1371194479.db2.gz JMOGTSQUURJZJA-FQEVSTJZSA-N 1 0 341.407 3.293 10 10 EGCERO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]CC(C)(C)C(=O)N1CCCC1 ZINC001118808609 1371233837 /nfs/dbraw/zinc/23/38/37/1371233837.db2.gz TVMAFBSFFBSZFI-HUUCEWRRSA-N 1 0 330.472 3.487 10 10 EGCERO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]CC(C)(C)C(=O)N1CCCC1 ZINC001118808607 1371233852 /nfs/dbraw/zinc/23/38/52/1371233852.db2.gz TVMAFBSFFBSZFI-CABCVRRESA-N 1 0 330.472 3.487 10 10 EGCERO CC(C)CC(C)(C)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001132899503 1375632882 /nfs/dbraw/zinc/63/28/82/1375632882.db2.gz XASIFYHNXBMQLE-UHFFFAOYSA-N 1 0 331.504 3.127 10 10 EGCERO CN(C)c1ccc([C@H](CNC(=O)[C@@H]2CCCC3(CC3)C2)[NH+](C)C)cc1 ZINC001134686156 1376658631 /nfs/dbraw/zinc/65/86/31/1376658631.db2.gz BMQLKYPNVZZIHB-MJGOQNOKSA-N 1 0 343.515 3.442 10 10 EGCERO Cc1cc(C)c(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)s1 ZINC001134881748 1376765186 /nfs/dbraw/zinc/76/51/86/1376765186.db2.gz GIXHROXZXHISSZ-KRWDZBQOSA-N 1 0 345.512 3.464 10 10 EGCERO CN(C)c1ccc([C@@H](CNC(=O)/C=C/c2ccsc2)[NH+](C)C)cc1 ZINC001134883003 1376766881 /nfs/dbraw/zinc/76/68/81/1376766881.db2.gz WPGRYEGMPKBRSG-YPHWWSSASA-N 1 0 343.496 3.246 10 10 EGCERO COc1ccc(C[NH2+][C@H](CCNC(=O)C(C)(F)F)C(C)C)cc1C ZINC001283433766 1378925171 /nfs/dbraw/zinc/92/51/71/1378925171.db2.gz OPLPZVQBNZUJMR-OAHLLOKOSA-N 1 0 342.430 3.279 10 10 EGCERO CC[C@H](SC)C(=O)N(C)C[C@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001283599379 1379044537 /nfs/dbraw/zinc/04/45/37/1379044537.db2.gz TVDHFDPXMGYZGC-YOEHRIQHSA-N 1 0 338.517 3.082 10 10 EGCERO COc1ccc(C[NH2+][C@@H](C)CCNC(=O)c2csnc2C)cc1C ZINC001328328813 1388723859 /nfs/dbraw/zinc/72/38/59/1388723859.db2.gz QQKOWUBAXFDKBS-ZDUSSCGKSA-N 1 0 347.484 3.067 10 10 EGCERO CCC[N@H+](C)CC(=O)NCc1cc(C)n(-c2cccc(C)c2)c1C ZINC001302263301 1383746138 /nfs/dbraw/zinc/74/61/38/1383746138.db2.gz VDTWINPMQXSQSE-UHFFFAOYSA-N 1 0 327.472 3.361 10 10 EGCERO CN(C)c1ccc([C@@H](CNc2ncnc3ccsc32)[NH+](C)C)cc1 ZINC001307227156 1383961165 /nfs/dbraw/zinc/96/11/65/1383961165.db2.gz CNEVKXCNVIVKBR-MRXNPFEDSA-N 1 0 341.484 3.472 10 10 EGCERO CCN(C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C)[C@@H](C)C(C)C ZINC001313420775 1384417318 /nfs/dbraw/zinc/41/73/18/1384417318.db2.gz YVHBHKVWNAUOJK-QFBILLFUSA-N 1 0 348.535 3.431 10 10 EGCERO COc1ccc(C[NH2+][C@@H](C)CNC(=O)CC(C)(C)C2CC2)cc1C ZINC001317239497 1385012896 /nfs/dbraw/zinc/01/28/96/1385012896.db2.gz RUNLQIRSYIRIBB-HNNXBMFYSA-N 1 0 332.488 3.424 10 10 EGCERO COc1ccc(C[NH2+][C@H](C)CNC(=O)[C@H]2CC23CCCC3)cc1C ZINC001317275166 1385044324 /nfs/dbraw/zinc/04/43/24/1385044324.db2.gz IODZFKJMLITQAS-NVXWUHKLSA-N 1 0 330.472 3.178 10 10 EGCERO COc1ccc(C[NH2+][C@H](C)CCNC(=O)[C@@H](C)C2CCC2)cc1C ZINC001317399192 1385115046 /nfs/dbraw/zinc/11/50/46/1385115046.db2.gz UIQQXYSYOSEZDL-CVEARBPZSA-N 1 0 332.488 3.424 10 10 EGCERO Cc1c(C(=O)NCc2c(O)ccc3ccccc32)ccc2c[nH+]cn21 ZINC001179032897 1386383017 /nfs/dbraw/zinc/38/30/17/1386383017.db2.gz QTYBJRSTDQZMBW-UHFFFAOYSA-N 1 0 331.375 3.432 10 10 EGCERO COc1ccc(N2CC[C@H]([NH2+]Cc3nc(-c4ccccc4)c[nH]3)C2)cc1 ZINC001330303418 1389382351 /nfs/dbraw/zinc/38/23/51/1389382351.db2.gz ZWYKSXDXJKZKRP-KRWDZBQOSA-N 1 0 348.450 3.454 10 10 EGCERO COc1ccc(N2CC[C@@H]([NH2+]Cc3nc(-c4ccccc4)c[nH]3)C2)cc1 ZINC001330303420 1389382626 /nfs/dbraw/zinc/38/26/26/1389382626.db2.gz ZWYKSXDXJKZKRP-QGZVFWFLSA-N 1 0 348.450 3.454 10 10 EGCERO CO[C@@H]1CC[C@@H]([NH2+][C@H](C)c2ccc(N3CCOCC3)cc2Cl)C1 ZINC001338829828 1389782297 /nfs/dbraw/zinc/78/22/97/1389782297.db2.gz SMQUFDZJPHAVLP-IIAWOOMASA-N 1 0 338.879 3.395 10 10 EGCERO COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)C(C)(C)C2CC2)cc1C ZINC001331528220 1389783858 /nfs/dbraw/zinc/78/38/58/1389783858.db2.gz BTMYGSRQBUBFDG-OAHLLOKOSA-N 1 0 332.488 3.376 10 10 EGCERO COC(=O)c1c(C[NH2+]C[C@@H]2CCO[C@H](C)C2)c2cc(F)ccc2n1C ZINC001350316748 1391446380 /nfs/dbraw/zinc/44/63/80/1391446380.db2.gz OZVXNFLKQHDXBO-CHWSQXEVSA-N 1 0 348.418 3.009 10 10 EGCERO COc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]2CCC2(C)C)cc1C ZINC001698854980 1406560701 /nfs/dbraw/zinc/56/07/01/1406560701.db2.gz XDBANVNMRJXHNR-NVXWUHKLSA-N 1 0 332.488 3.376 10 10 EGCERO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)/C=C(\C)C3CC3)C2)cc1C ZINC001480129454 1392597045 /nfs/dbraw/zinc/59/70/45/1392597045.db2.gz NFJLPGTUPWPFDZ-CHHSLMFTSA-N 1 0 328.456 3.097 10 10 EGCERO COc1ccc(C[NH2+][C@H](C)CNC(=O)[C@@H](C)C2CCCC2)cc1C ZINC001480570422 1392796240 /nfs/dbraw/zinc/79/62/40/1392796240.db2.gz RXGNJWFTESPEAC-CVEARBPZSA-N 1 0 332.488 3.424 10 10 EGCERO COc1ccc(C[NH2+]C[C@H](C)CNC(=O)[C@H]2CC=CCC2)cc1C ZINC001482075182 1394737073 /nfs/dbraw/zinc/73/70/73/1394737073.db2.gz JSZNMKHDDAFNNN-YJBOKZPZSA-N 1 0 330.472 3.202 10 10 EGCERO CC[C@@H](CNC(=O)C[C@H]1C=CCC1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001732193689 1428445231 /nfs/dbraw/zinc/44/52/31/1428445231.db2.gz XPYOQNKCADGLOP-WMZOPIPTSA-N 1 0 330.472 3.344 10 10 EGCERO COc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)c2ccccc2)cc1C ZINC001732456654 1428590196 /nfs/dbraw/zinc/59/01/96/1428590196.db2.gz WVVCUHZCNHFNTP-MRXNPFEDSA-N 1 0 326.440 3.254 10 10 EGCERO COc1ccc(C[NH2+]C[C@H](C)NC(=O)C2(F)CCCCC2)cc1C ZINC001699427544 1412743629 /nfs/dbraw/zinc/74/36/29/1412743629.db2.gz BOKFMIVRYVTTLC-HNNXBMFYSA-N 1 0 336.451 3.270 10 10 EGCERO COc1ccc(C[NH2+][C@H]2C[C@@H](CNC(=O)C[C@H]3C=CCC3)C2)cc1C ZINC001707060288 1417176104 /nfs/dbraw/zinc/17/61/04/1417176104.db2.gz RSTKGFCYJMLJAC-YTQUADARSA-N 1 0 342.483 3.344 10 10 EGCERO COc1ccc(C[NH2+][C@H](CNC(=O)[C@@H](C)C2CCC2)C2CC2)cc1C ZINC001713112165 1417674954 /nfs/dbraw/zinc/67/49/54/1417674954.db2.gz GITDNKNCHVOOIN-HNAYVOBHSA-N 1 0 344.499 3.424 10 10 EGCERO COc1ccc(C[NH2+]CCCN(C)C(=O)C(C)(C)C(F)F)cc1C ZINC001733125373 1429252716 /nfs/dbraw/zinc/25/27/16/1429252716.db2.gz FNMHAUNXGKWVKA-UHFFFAOYSA-N 1 0 342.430 3.233 10 10 EGCERO COc1ccc(C[NH2+][C@@H](C)CNC(=O)c2cccc(C)c2F)cc1C ZINC001714236557 1419026423 /nfs/dbraw/zinc/02/64/23/1419026423.db2.gz ZUDNAHJMCOTHHE-HNNXBMFYSA-N 1 0 344.430 3.359 10 10 EGCERO COc1ccc(C[NH2+][C@@H](CNC(=O)c2cocc2C)C(C)C)cc1C ZINC001715505953 1420188938 /nfs/dbraw/zinc/18/89/38/1420188938.db2.gz UJWNFEPZFRAKGA-SFHVURJKSA-N 1 0 344.455 3.449 10 10 EGCERO COc1ccc(C[NH2+][C@H](CNC(=O)[C@@H](F)C(C)C)C(C)C)cc1C ZINC001715716664 1420309036 /nfs/dbraw/zinc/30/90/36/1420309036.db2.gz FAIPVRAQXMILFT-AEFFLSMTSA-N 1 0 338.467 3.228 10 10 EGCERO CCN(CC[NH2+]Cc1ccc(OC)c(C)c1)C(=O)Cc1occc1C ZINC001715754609 1420326622 /nfs/dbraw/zinc/32/66/22/1420326622.db2.gz GNCJOBOPXDKOIV-UHFFFAOYSA-N 1 0 344.455 3.086 10 10 EGCERO COc1ccc(C[NH2+]C[C@H](C)NC(=O)[C@@H](C)c2ccsc2)cc1C ZINC001716453235 1420668223 /nfs/dbraw/zinc/66/82/23/1420668223.db2.gz YBHCMLMXRJIEBH-GJZGRUSLSA-N 1 0 346.496 3.463 10 10 EGCERO CCC[NH2+][C@@H](CCN(C)C(=O)c1ccc(N=NC(N)=O)cc1)C(C)C ZINC001717517554 1421454882 /nfs/dbraw/zinc/45/48/82/1421454882.db2.gz KRLBRUQZLBZUFX-INIZCTEOSA-N 1 0 347.463 3.335 10 10 EGCERO CCC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001722958243 1424280192 /nfs/dbraw/zinc/28/01/92/1424280192.db2.gz WJPYSMLWMWRWHB-HOCLYGCPSA-N 1 0 345.447 3.137 10 10 EGCERO CC/C(C)=C/C(=O)N1C[C@H]([NH2+]Cc2ccc(OC)c(C)c2)[C@@H](C)C1 ZINC001724933664 1425319683 /nfs/dbraw/zinc/31/96/83/1425319683.db2.gz JKQXJWBTIRNVME-AOXAOBTDSA-N 1 0 330.472 3.296 10 10 EGCERO COc1ccc(C[NH2+]C2CC(N(C)C(=O)C3(CCF)CC3)C2)cc1C ZINC001725787131 1426472309 /nfs/dbraw/zinc/47/23/09/1426472309.db2.gz YURWRQKGCVZNBN-UHFFFAOYSA-N 1 0 348.462 3.222 10 10 EGCERO COc1ccc(C[NH2+][C@@H](CNC(=O)[C@H](C)C2CC2)C2CC2)cc1C ZINC001731400401 1427360756 /nfs/dbraw/zinc/36/07/56/1427360756.db2.gz LMUNLNNSFIBJHI-KDOFPFPSSA-N 1 0 330.472 3.034 10 10 EGCERO CC[C@H](F)C(=O)N(C)[C@H](C[NH2+]Cc1ccc(OC)c(C)c1)C1CC1 ZINC001734302327 1438033760 /nfs/dbraw/zinc/03/37/60/1438033760.db2.gz GRBRYQVMWLCVGK-DLBZAZTESA-N 1 0 336.451 3.078 10 10 EGCERO C[C@H]([NH3+])c1ccc(N(C)C[C@@H]2CCCOC2)c(Br)c1 ZINC000104196069 219359469 /nfs/dbraw/zinc/35/94/69/219359469.db2.gz LBVTUSADFJZENK-RYUDHWBXSA-N 1 0 327.266 3.332 10 10 EGCERO Cc1cc(O)c(C[NH+]2CCC(C(=O)Nc3nccs3)CC2)cc1C ZINC000057088029 454102318 /nfs/dbraw/zinc/10/23/18/454102318.db2.gz AMXSQZVXBMMBPE-UHFFFAOYSA-N 1 0 345.468 3.316 10 10 EGCERO CN(c1ccc(C[NH2+]C2CCN(C(N)=O)CC2)cc1)C1CCCCC1 ZINC000119345824 454187768 /nfs/dbraw/zinc/18/77/68/454187768.db2.gz ONJNJFFNISLINL-UHFFFAOYSA-N 1 0 344.503 3.088 10 10 EGCERO CCOc1ccc(O)c(C[N@@H+]2CCC[C@@H](n3ccnc3CC)C2)c1 ZINC000122938389 454584227 /nfs/dbraw/zinc/58/42/27/454584227.db2.gz WGRVHWFNGLJEKX-MRXNPFEDSA-N 1 0 329.444 3.387 10 10 EGCERO COc1ccc(N2CCC([NH2+]CCc3ccccc3O)CC2)cc1 ZINC000154958337 454948040 /nfs/dbraw/zinc/94/80/40/454948040.db2.gz FJDHJXPMBGITID-UHFFFAOYSA-N 1 0 326.440 3.202 10 10 EGCERO Cc1cccc(C[NH+]2CCC(NC(=O)c3ccccc3C)CC2)c1O ZINC000179687164 455066875 /nfs/dbraw/zinc/06/68/75/455066875.db2.gz UBBQBHPAZDKMLO-UHFFFAOYSA-N 1 0 338.451 3.403 10 10 EGCERO CCCC(=O)NC[C@H]1CCC[N@H+](Cc2cc(Cl)cc(C)c2O)C1 ZINC000179931983 455101117 /nfs/dbraw/zinc/10/11/17/455101117.db2.gz UIJMUWZHUNRZFE-CQSZACIVSA-N 1 0 338.879 3.482 10 10 EGCERO Cc1cc(Cl)cc(C[NH+]2CCC(N(C)c3cccnn3)CC2)c1O ZINC000180080357 455128963 /nfs/dbraw/zinc/12/89/63/455128963.db2.gz NEKXHRHHBVURON-UHFFFAOYSA-N 1 0 346.862 3.245 10 10 EGCERO Cc1nc(CN2CCC[N@H+](Cc3cc(C)c(C)cc3O)CC2)cs1 ZINC000157239179 455175732 /nfs/dbraw/zinc/17/57/32/455175732.db2.gz VGGXEKGQTAEOOR-UHFFFAOYSA-N 1 0 345.512 3.482 10 10 EGCERO CO[C@@H]1CC[C@H]2OCC[N@H+](Cc3c(O)ccc4ccccc43)[C@H]2C1 ZINC000246450221 455492365 /nfs/dbraw/zinc/49/23/65/455492365.db2.gz IXAXDSVPEJAQSJ-MOXGXCLJSA-N 1 0 327.424 3.314 10 10 EGCERO Cc1ccc(O)c(C[NH2+]C[C@@H]2CN(Cc3ccccc3)CCCO2)c1 ZINC000192356070 455595504 /nfs/dbraw/zinc/59/55/04/455595504.db2.gz IIZXRXCYOSNIMG-HXUWFJFHSA-N 1 0 340.467 3.081 10 10 EGCERO COc1ccc(O)c([C@H](C)[NH2+]Cc2cn(C)nc2C(F)(F)F)c1 ZINC000186151696 455703756 /nfs/dbraw/zinc/70/37/56/455703756.db2.gz XIUHAPBDXXNFDY-VIFPVBQESA-N 1 0 329.322 3.004 10 10 EGCERO C[C@H]([NH2+][C@@H]1C[C@@H]2OCCC[C@H]12)c1cc(Br)ccc1O ZINC000251521974 455791774 /nfs/dbraw/zinc/79/17/74/455791774.db2.gz CTLIXVNQHIQNRT-XKFJNSEWSA-N 1 0 326.234 3.373 10 10 EGCERO CCc1noc(C)c1C[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000293735100 455795541 /nfs/dbraw/zinc/79/55/41/455795541.db2.gz OSTJSNJCCLPQCG-CYBMUJFWSA-N 1 0 347.434 3.372 10 10 EGCERO CN1C[C@H]([NH2+][C@@H](CCc2ccccc2)c2ccccc2O)CCC1=O ZINC000293785139 455797586 /nfs/dbraw/zinc/79/75/86/455797586.db2.gz QJXDRPSFAVZPBG-MJGOQNOKSA-N 1 0 338.451 3.277 10 10 EGCERO C[C@H]([NH2+][C@@H]1C[C@@H]2OCCC[C@@H]12)c1ccc(Br)cc1O ZINC000251854999 455798438 /nfs/dbraw/zinc/79/84/38/455798438.db2.gz NUTVJSMJNMXEHY-WTKQLKIWSA-N 1 0 326.234 3.373 10 10 EGCERO COc1c(O)c(C[N@@H+]2CC[C@@H](CC(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000278431886 455836275 /nfs/dbraw/zinc/83/62/75/455836275.db2.gz UBOBLUCPYYNYIN-VIFPVBQESA-N 1 0 334.294 3.083 10 10 EGCERO CCOCc1cc(C[NH2+]C2(CC(=O)OC)CCCC2)ccc1OC ZINC000279728414 455871448 /nfs/dbraw/zinc/87/14/48/455871448.db2.gz VPNHFZSNHLNLJY-UHFFFAOYSA-N 1 0 335.444 3.197 10 10 EGCERO CC[C@H]([NH2+][C@H]1CCCN(c2ncccn2)C1)c1ccc(C)cc1O ZINC000280093931 455889947 /nfs/dbraw/zinc/88/99/47/455889947.db2.gz MQWJQTBYENCXSZ-RDJZCZTQSA-N 1 0 326.444 3.200 10 10 EGCERO C[N@@H+](Cc1ccc(N2CCCCC2)cc1)C[C@@H](O)CC(F)(F)F ZINC000188638407 456101223 /nfs/dbraw/zinc/10/12/23/456101223.db2.gz VDGZRKZDQBBOJR-INIZCTEOSA-N 1 0 330.394 3.422 10 10 EGCERO CCOc1ccc(O)c(C[N@@H+]2CC[C@](O)(c3ccc(F)cc3)C2)c1 ZINC000375033633 457764124 /nfs/dbraw/zinc/76/41/24/457764124.db2.gz AQHCMZNAKUQNLC-LJQANCHMSA-N 1 0 331.387 3.024 10 10 EGCERO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NC[C@@H]2C[C@H]2C)C1 ZINC000443942256 457827690 /nfs/dbraw/zinc/82/76/90/457827690.db2.gz JUQCLOUWUXNXOE-CVEARBPZSA-N 1 0 339.483 3.180 10 10 EGCERO COc1cccc(C[NH+]2CCc3cc(OC)c(OC)cc3CC2)c1O ZINC000362388701 458144655 /nfs/dbraw/zinc/14/46/55/458144655.db2.gz IAEVUJZPEZAQIM-UHFFFAOYSA-N 1 0 343.423 3.019 10 10 EGCERO COc1cccc([C@H](C)[NH2+]C[C@@]2(C)COc3ccccc3O2)c1O ZINC000527932923 459775942 /nfs/dbraw/zinc/77/59/42/459775942.db2.gz RLRWUNKBHIBKDL-DJJJIMSYSA-N 1 0 329.396 3.282 10 10 EGCERO CC[C@@H]([NH2+][C@H]1CCCN(c2cnn(C)c2)C1)c1ccc(C)cc1O ZINC000365581613 547777630 /nfs/dbraw/zinc/77/76/30/547777630.db2.gz PYHHGUVHNURVTK-MAUKXSAKSA-N 1 0 328.460 3.144 10 10 EGCERO CC[C@H]1CCCCC[N@@H+]1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000740423317 574725849 /nfs/dbraw/zinc/72/58/49/574725849.db2.gz GKTLVHMXYHGEKJ-SFHVURJKSA-N 1 0 331.504 3.366 10 10 EGCERO CCC[N@@H+]1CCC[C@H]1C(=O)NCc1ccc(N(CC)CC)c(F)c1 ZINC000731345286 575067218 /nfs/dbraw/zinc/06/72/18/575067218.db2.gz KZCKQKFMGNMGNZ-SFHVURJKSA-N 1 0 335.467 3.163 10 10 EGCERO COc1ccc(OC)c(CN(C)c2ccc(OCC[NH+](C)C)cc2)c1 ZINC000732410820 575268155 /nfs/dbraw/zinc/26/81/55/575268155.db2.gz JARRXHTUZNOZIF-UHFFFAOYSA-N 1 0 344.455 3.281 10 10 EGCERO COC[C@H]1CC[N@H+](CC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)C1 ZINC000739923197 576520305 /nfs/dbraw/zinc/52/03/05/576520305.db2.gz UKJMOQNFNMSMIP-INIZCTEOSA-N 1 0 344.430 3.384 10 10 EGCERO Cc1cc(Br)cc(C[N@H+](C)C[C@@H]2CCCCO2)c1O ZINC000124568966 1293479062 /nfs/dbraw/zinc/47/90/62/1293479062.db2.gz CSUMMXGOQGOOGN-AWEZNQCLSA-N 1 0 328.250 3.464 10 10 EGCERO CCOC(=O)CN(Cc1ccccc1)Cc1cc(C)cc(OC)c1O ZINC000164218830 1294345536 /nfs/dbraw/zinc/34/55/36/1294345536.db2.gz BMIGZYDHQYYHQY-UHFFFAOYSA-N 1 0 343.423 3.275 10 10 EGCERO C[C@H]([NH2+]C[C@@H]1C[C@@H]2CCC[C@H]2O1)c1ccc(N2CCOCC2)c(F)c1 ZINC000872109966 1296736017 /nfs/dbraw/zinc/73/60/17/1296736017.db2.gz UVBDKAGEWYHEGO-JWWIWJDOSA-N 1 0 348.462 3.271 10 10 EGCERO COc1ccc(O)c([C@@H](C)[NH2+]CCOC(F)(F)C(F)(F)F)c1 ZINC000872110827 1296738001 /nfs/dbraw/zinc/73/80/01/1296738001.db2.gz RMARAMDWBLAOSN-MRVPVSSYSA-N 1 0 329.265 3.223 10 10 EGCERO Cc1cc(Br)c([O-])c(C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)c1 ZINC000872251790 1296852348 /nfs/dbraw/zinc/85/23/48/1296852348.db2.gz NEEKDTLWIBSIJB-CYBMUJFWSA-N 1 0 341.293 3.331 10 10 EGCERO C[C@@H]1[C@H](C)OC[C@]12CC[C@H](C[NH2+]Cc1cc(Cl)ccc1O)O2 ZINC000886340505 1303442491 /nfs/dbraw/zinc/44/24/91/1303442491.db2.gz HUPZPCOTUBIUIE-DJZPMSPPSA-N 1 0 325.836 3.108 10 10 EGCERO COc1cc(C)cc(C[NH2+][C@@H](C)[C@H](C)NC(=O)OC(C)(C)C)c1O ZINC000894881447 1309112902 /nfs/dbraw/zinc/11/29/02/1309112902.db2.gz PEVARGGUYBKTFE-STQMWFEESA-N 1 0 338.448 3.101 10 10 EGCERO COC(=O)c1cnc(CC2CC[NH+](Cc3ccccc3O)CC2)s1 ZINC000895563427 1309404268 /nfs/dbraw/zinc/40/42/68/1309404268.db2.gz FGYLBAXZHUPNEF-UHFFFAOYSA-N 1 0 346.452 3.090 10 10 EGCERO Cc1cc(N(C)C)ccc1C[NH2+]C[C@@H]1CC[C@]2(CO[C@@H](C)[C@H]2C)O1 ZINC000895818784 1309535129 /nfs/dbraw/zinc/53/51/29/1309535129.db2.gz FTPBOLKWQFICBY-GIYDNNGJSA-N 1 0 332.488 3.123 10 10 EGCERO CCN(CC)c1ccc(C[N@@H+]2CC[C@@](CO)(C(F)(F)F)C2)cc1F ZINC000895838028 1309546877 /nfs/dbraw/zinc/54/68/77/1309546877.db2.gz ZLTZFOUGDPKLEZ-MRXNPFEDSA-N 1 0 348.384 3.419 10 10 EGCERO Oc1cccc(Br)c1C[N@@H+]1CC[C@@H]([C@H]2CCCO2)C1 ZINC000895844120 1309552539 /nfs/dbraw/zinc/55/25/39/1309552539.db2.gz METVVMGFEQVVTF-IAQYHMDHSA-N 1 0 326.234 3.156 10 10 EGCERO CCOc1ccc(O)c(C[N@@H+]2CC[C@@H](Oc3ccc(C)cn3)C2)c1 ZINC000858011199 1328656756 /nfs/dbraw/zinc/65/67/56/1328656756.db2.gz KZTNMZVICZJHIB-QGZVFWFLSA-N 1 0 328.412 3.148 10 10 EGCERO CN(C)c1ccc(/C=C/C[NH2+]C[C@H]2c3ccccc3C(=O)N2C)cc1 ZINC000858283299 1328728564 /nfs/dbraw/zinc/72/85/64/1328728564.db2.gz GITGEWUQBAXEGW-YJJPMGAVSA-N 1 0 335.451 3.182 10 10 EGCERO Oc1cc2c(cc1C[NH2+]Cc1csc(C(F)(F)F)c1)OCO2 ZINC000858304730 1328733728 /nfs/dbraw/zinc/73/37/28/1328733728.db2.gz IDLIDCYICCPUDC-UHFFFAOYSA-N 1 0 331.315 3.491 10 10 EGCERO C[C@H]([NH2+]C[C@@H](O)[C@@H]1CCCO1)c1ccc(N2CCCCCC2)cc1 ZINC000858469040 1328770556 /nfs/dbraw/zinc/77/05/56/1328770556.db2.gz OAEVYEKVTJHDCG-DBVUQKKJSA-N 1 0 332.488 3.258 10 10 EGCERO C[C@@H]([NH2+]CCCc1cccnc1)c1ccc(N2CCOCC2)cc1 ZINC000930211825 1328813260 /nfs/dbraw/zinc/81/32/60/1328813260.db2.gz XTPZHUJJPXRUHA-QGZVFWFLSA-N 1 0 325.456 3.202 10 10 EGCERO Cn1cc(C[C@H]2CCC[C@@H]2[NH2+]Cc2ccc3c(c2)CCCO3)cn1 ZINC000922254257 1322488509 /nfs/dbraw/zinc/48/85/09/1322488509.db2.gz MZZHENWJZXYOHH-MJGOQNOKSA-N 1 0 325.456 3.246 10 10 EGCERO CN(C)c1ccc(CN[C@@H](CC[NH+](C)C)c2cccnc2)cc1F ZINC000922633154 1322576293 /nfs/dbraw/zinc/57/62/93/1322576293.db2.gz ZFWDIRJENDWIHD-SFHVURJKSA-N 1 0 330.451 3.069 10 10 EGCERO c1ccc2ncc(CC[NH2+]Cc3ccc(N4CCOCC4)cc3)cc2c1 ZINC000922704093 1322596970 /nfs/dbraw/zinc/59/69/70/1322596970.db2.gz OIMILYWWQFMFPW-UHFFFAOYSA-N 1 0 347.462 3.404 10 10 EGCERO CN(C)c1ccc(/C=C/C[NH2+]CC[C@@H](N(C)C)C(F)(F)F)cc1 ZINC000922754994 1322610873 /nfs/dbraw/zinc/61/08/73/1322610873.db2.gz PSVLTQHYCZNTSL-SQRWCISFSA-N 1 0 329.410 3.238 10 10 EGCERO c1cc(N2CCOCC2)ccc1C[NH2+][C@H]1CCSC2(CCC2)C1 ZINC000922842805 1322631326 /nfs/dbraw/zinc/63/13/26/1322631326.db2.gz OYJYFCDDYKSOAH-KRWDZBQOSA-N 1 0 332.513 3.431 10 10 EGCERO Cc1cc(C[N@@H+]2CC[C@H]3CC[C@@H](C2)[S@@]3=O)ccc1N1CCCCC1 ZINC000859886805 1329106371 /nfs/dbraw/zinc/10/63/71/1329106371.db2.gz RZAYYUPXHQSDKK-YDIMBITNSA-N 1 0 346.540 3.471 10 10 EGCERO CC[N@H+](Cc1ccc(N2CCOCC2)cc1)[C@@H](CO)c1ccccc1 ZINC000931699988 1329166920 /nfs/dbraw/zinc/16/69/20/1329166920.db2.gz CMGJLGFDQRISNV-NRFANRHFSA-N 1 0 340.467 3.079 10 10 EGCERO CC[C@H]([NH2+]CCN1CCC([NH3+])CC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000925818243 1325314935 /nfs/dbraw/zinc/31/49/35/1325314935.db2.gz ZUHQFNMAAWWOOR-HNNXBMFYSA-N 1 0 346.302 3.163 10 10 EGCERO COc1ccc(N2CC[C@@H](C[NH2+][C@H]3CCCc4oc(C)nc43)C2)cc1 ZINC000926610505 1327634557 /nfs/dbraw/zinc/63/45/57/1327634557.db2.gz DTVVTXGCDUYOHL-YJBOKZPZSA-N 1 0 341.455 3.485 10 10 EGCERO COc1ccc(N2CC[C@H]([NH2+][C@@H]3CCCc4oc(C)nc43)C2)cc1 ZINC000926680445 1327663471 /nfs/dbraw/zinc/66/34/71/1327663471.db2.gz OKWXMTTWJMFDTN-WMLDXEAASA-N 1 0 327.428 3.238 10 10 EGCERO Cc1cc(Cl)cc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)S3(=O)=O)c1O ZINC000927037905 1327826678 /nfs/dbraw/zinc/82/66/78/1327826678.db2.gz GQMKXYXCRNJZSC-HLVVYCRESA-N 1 0 343.876 3.113 10 10 EGCERO C[C@H]([NH2+]C1([C@@H]2CCCCO2)CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000927159733 1327898506 /nfs/dbraw/zinc/89/85/06/1327898506.db2.gz IBIPPQKBUXAYAX-KXBFYZLASA-N 1 0 348.462 3.415 10 10 EGCERO C[C@@H]1CC[C@@H](NC(=O)N(Cc2ccccc2O)C2CCCCC2)C[NH2+]1 ZINC000861686910 1329436317 /nfs/dbraw/zinc/43/63/17/1329436317.db2.gz VCHWDIANMANTHZ-NVXWUHKLSA-N 1 0 345.487 3.377 10 10 EGCERO C[C@@]1(C[NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)CCCS1 ZINC000862272014 1329473112 /nfs/dbraw/zinc/47/31/12/1329473112.db2.gz CIVDZZSOUJFJIU-SFHVURJKSA-N 1 0 338.492 3.162 10 10 EGCERO C[C@H]([NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1)C1CC(F)(F)C1 ZINC000862390966 1329481516 /nfs/dbraw/zinc/48/15/16/1329481516.db2.gz DDYZCMSYWZKAQH-NSHDSACASA-N 1 0 346.368 3.325 10 10 EGCERO Cc1cc(O)c(C[NH2+]C[C@H](n2cccn2)C(F)(F)F)cc1Cl ZINC000862434881 1329486756 /nfs/dbraw/zinc/48/67/56/1329486756.db2.gz JJLTVGGIVBNELH-ZDUSSCGKSA-N 1 0 333.741 3.444 10 10 EGCERO Oc1ccc([C@H]2CC[N@H+](Cc3ccc(N4CCOCC4)cc3)C2)cc1 ZINC000862540699 1329494113 /nfs/dbraw/zinc/49/41/13/1329494113.db2.gz KEUSPXLLJQMKTA-IBGZPJMESA-N 1 0 338.451 3.218 10 10 EGCERO CC[C@H](N[C@H]1CC[C@@H](C)[NH2+]C1)c1cc(Br)ccc1O ZINC000863547606 1329562484 /nfs/dbraw/zinc/56/24/84/1329562484.db2.gz QSARJPNHKHMSIM-OSMZGAPFSA-N 1 0 327.266 3.336 10 10 EGCERO Cc1cc(O)c(C[NH2+]C[C@@H]2CC3(CO2)CCOCC3)c(Cl)c1 ZINC000865779363 1329737712 /nfs/dbraw/zinc/73/77/12/1329737712.db2.gz HIPLHUCNWPLOIG-ZDUSSCGKSA-N 1 0 325.836 3.029 10 10 EGCERO COc1cc([N+](=O)[O-])c(N2CCC(C)([NH+]3CCCC3)CC2)cc1OC ZINC000866022224 1329759753 /nfs/dbraw/zinc/75/97/53/1329759753.db2.gz RXCSMUFOBMXUNQ-UHFFFAOYSA-N 1 0 349.431 3.067 10 10 EGCERO C[C@H]([NH2+]C[C@@H]1CC2(CO1)CCOCC2)c1cc(Cl)ccc1O ZINC000866530680 1330122414 /nfs/dbraw/zinc/12/24/14/1330122414.db2.gz BHEKDSPEJZHDBO-JSGCOSHPSA-N 1 0 325.836 3.282 10 10 EGCERO CC[C@@H]1[C@@H](C(=O)NCc2cc(Cl)cc(Cl)c2[O-])CC[N@@H+]1C ZINC000868358926 1330273663 /nfs/dbraw/zinc/27/36/63/1330273663.db2.gz UZMVWEGIXMPGAR-WCQYABFASA-N 1 0 331.243 3.046 10 10 EGCERO COc1ccc(C[NH2+]C2(CNC(=O)[C@]3(C)CC=CCC3)CC2)cc1C ZINC001323441160 1387370525 /nfs/dbraw/zinc/37/05/25/1387370525.db2.gz FTAZGELTZXKKFC-HXUWFJFHSA-N 1 0 342.483 3.488 10 10 EGCERO COc1ccc(C[NH2+]C2(CNC(=O)C[C@@H]3CC[C@H]4C[C@H]43)CC2)cc1C ZINC001323480937 1387374700 /nfs/dbraw/zinc/37/47/00/1387374700.db2.gz XLKGIBSQRLRPBP-OKZBNKHCSA-N 1 0 342.483 3.178 10 10 EGCERO CC(=O)c1cc(F)cc(CN2CC[NH+](CCC(C)(C)C)CC2)c1O ZINC001190465925 1367271020 /nfs/dbraw/zinc/27/10/20/1367271020.db2.gz OWVCTKMITBGKLI-UHFFFAOYSA-N 1 0 336.451 3.288 10 10 EGCERO CCc1cc(NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)nc(CC)n1 ZINC001187842730 1388175893 /nfs/dbraw/zinc/17/58/93/1388175893.db2.gz WBPNNUNVBMJWFX-SFHVURJKSA-N 1 0 341.503 3.382 10 10 EGCERO C[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3CCC=CCCC3)cc2)CC1 ZINC001132903107 1375635526 /nfs/dbraw/zinc/63/55/26/1375635526.db2.gz SMXCKSNLGODESA-LJQANCHMSA-N 1 0 341.499 3.191 10 10 EGCERO CN(C)c1ccc([C@H](CNC(=O)/C=C/c2ccsc2)[NH+](C)C)cc1 ZINC001134883001 1376765802 /nfs/dbraw/zinc/76/58/02/1376765802.db2.gz WPGRYEGMPKBRSG-DNXKIMQPSA-N 1 0 343.496 3.246 10 10 EGCERO CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@@H]1CC[N@@H+]1C(C)(C)C ZINC001135800922 1377214658 /nfs/dbraw/zinc/21/46/58/1377214658.db2.gz VRKVLJXDWFCPIZ-SFHVURJKSA-N 1 0 329.488 3.118 10 10 EGCERO Cc1cc(C(=O)N2C[C@H]3CC[N@@H+](C)[C@H]3C2)c(C)n1-c1ccccc1C ZINC001141197241 1378265629 /nfs/dbraw/zinc/26/56/29/1378265629.db2.gz ZMXKXKXWXBDPFE-XLIONFOSSA-N 1 0 337.467 3.179 10 10 EGCERO COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)c2occc2C)cc1C ZINC001283570393 1379026884 /nfs/dbraw/zinc/02/68/84/1379026884.db2.gz DMWBPDYCVGBYJP-OAHLLOKOSA-N 1 0 330.428 3.155 10 10 EGCERO FC(F)(F)c1ncc(C[NH2+]Cc2ccc(N3CCCC3)cc2)cn1 ZINC001327832905 1388602272 /nfs/dbraw/zinc/60/22/72/1388602272.db2.gz WAZJSPTTXZNWHC-UHFFFAOYSA-N 1 0 336.361 3.385 10 10 EGCERO CC[C@@](O)(C[N@H+](Cc1ccc(N(C)C)cc1)C1CC1)C(F)(F)F ZINC001307424774 1383988353 /nfs/dbraw/zinc/98/83/53/1383988353.db2.gz VLLAZXMUCPEVOH-MRXNPFEDSA-N 1 0 330.394 3.420 10 10 EGCERO CCN(C)c1ccc(C[N@@H+]2CCOc3ccccc3[C@H]2CO)cc1 ZINC001308103988 1384093307 /nfs/dbraw/zinc/09/33/07/1384093307.db2.gz AZVABTCDNLSTPD-LJQANCHMSA-N 1 0 326.440 3.071 10 10 EGCERO COc1ccc(C[NH2+][C@@H](C)CNC(=O)C2CC3(CCC3)C2)cc1C ZINC001317262033 1385031186 /nfs/dbraw/zinc/03/11/86/1385031186.db2.gz SGCIDQLPHWLHCD-HNNXBMFYSA-N 1 0 330.472 3.178 10 10 EGCERO COc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)[C@H]2[C@@H]3CCCC[C@@H]32)cc1C ZINC001319438681 1386122028 /nfs/dbraw/zinc/12/20/28/1386122028.db2.gz FVXKOQHWBILERX-WOGUSJMUSA-N 1 0 344.499 3.376 10 10 EGCERO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)[C@H](C)c2ccccc2)cc1C ZINC001321714559 1386964100 /nfs/dbraw/zinc/96/41/00/1386964100.db2.gz ZXHPRSCUAJPWHM-IAGOWNOFSA-N 1 0 340.467 3.402 10 10 EGCERO COc1ccc(C[NH2+]C[C@H](C)NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)cc1C ZINC001321937688 1387013704 /nfs/dbraw/zinc/01/37/04/1387013704.db2.gz OKALXXWRIVIJKJ-DSLXNQLJSA-N 1 0 344.499 3.424 10 10 EGCERO COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)c2coc(C)c2)cc1C ZINC001331425960 1389743595 /nfs/dbraw/zinc/74/35/95/1389743595.db2.gz FOXZMOFLICNLEL-CQSZACIVSA-N 1 0 330.428 3.155 10 10 EGCERO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]C[C@@H]1CC2(CO1)CCOCC2 ZINC001331918032 1389910124 /nfs/dbraw/zinc/91/01/24/1389910124.db2.gz YCUCRIDAJUKYOQ-OWCLPIDISA-N 1 0 331.456 3.424 10 10 EGCERO COc1ccc(C[NH2+]C[C@@H](C)CNC(=O)c2cc(C)[nH]c2C)cc1C ZINC001698767434 1406424838 /nfs/dbraw/zinc/42/48/38/1406424838.db2.gz VOVYTXOPCVPRDV-CYBMUJFWSA-N 1 0 343.471 3.104 10 10 EGCERO C[C@H]([NH2+]C[C@@](C)(O)C(F)(F)C(F)(F)F)c1ccc(N(C)C)cc1 ZINC001332924043 1390217428 /nfs/dbraw/zinc/21/74/28/1390217428.db2.gz VUPYTVZUDSDTLD-GXFFZTMASA-N 1 0 340.336 3.352 10 10 EGCERO COc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)c2cccc(F)c2)cc1C ZINC001698810767 1406497469 /nfs/dbraw/zinc/49/74/69/1406497469.db2.gz IBFXNOBISDQWHL-HNNXBMFYSA-N 1 0 344.430 3.393 10 10 EGCERO Cc1cc(O)c(CN2CCC([NH2+]C3CCOCC3)CC2)c(Cl)c1 ZINC001350338723 1391450204 /nfs/dbraw/zinc/45/02/04/1391450204.db2.gz VICQXZDYRYYKRV-UHFFFAOYSA-N 1 0 338.879 3.087 10 10 EGCERO CC[C@H](CNC(=O)c1cc(C)sn1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001481806937 1394539516 /nfs/dbraw/zinc/53/95/16/1394539516.db2.gz BWRBSHYOVKUZAP-OAHLLOKOSA-N 1 0 347.484 3.067 10 10 EGCERO COc1ccc(C[NH2+]C[C@@](C)(NC(=O)C=C2CCC2)C2CC2)cc1C ZINC001481925117 1394598157 /nfs/dbraw/zinc/59/81/57/1394598157.db2.gz NQMPBLJYROIIRF-OAQYLSRUSA-N 1 0 342.483 3.488 10 10 EGCERO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)C(C)(C)C2CCC2)cc1C ZINC001497865174 1396864323 /nfs/dbraw/zinc/86/43/23/1396864323.db2.gz ORFXBXDEUOQJNR-OAHLLOKOSA-N 1 0 332.488 3.424 10 10 EGCERO COc1ccc(C[NH2+][C@H](CNC(=O)C2CC3(CC3)C2)C2CC2)cc1C ZINC001690168475 1404367369 /nfs/dbraw/zinc/36/73/69/1404367369.db2.gz GGNDJUBHKGCWQK-GOSISDBHSA-N 1 0 342.483 3.178 10 10 EGCERO COc1ccc(C[NH2+]C2(CNC(=O)Cc3cccs3)CC2)cc1C ZINC001699643136 1413023907 /nfs/dbraw/zinc/02/39/07/1413023907.db2.gz ARLJYTKVLONEMO-UHFFFAOYSA-N 1 0 344.480 3.046 10 10 EGCERO COc1ccc(C[NH2+][C@H](CNC(=O)[C@H]2[C@@H]3CCC[C@@H]32)C2CC2)cc1C ZINC001713110209 1417671572 /nfs/dbraw/zinc/67/15/72/1417671572.db2.gz ZYRBGRIFRLDSOO-RMJJICAUSA-N 1 0 342.483 3.034 10 10 EGCERO CC/C=C/CC[NH2+][C@H]1C[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001714022923 1418806494 /nfs/dbraw/zinc/80/64/94/1418806494.db2.gz WPMQCXWVUORQFK-MKTUBQHCSA-N 1 0 343.431 3.056 10 10 EGCERO CC[C@@H]1C[C@H]1C(=O)NC[C@@H]([NH2+]Cc1ccc(OC)c(C)c1)C(C)C ZINC001715500727 1420183100 /nfs/dbraw/zinc/18/31/00/1420183100.db2.gz HOYOSKXWHIBWJL-KZNAEPCWSA-N 1 0 332.488 3.280 10 10 EGCERO COc1ccc(C[NH2+]CC[C@H](C)NC(=O)[C@H](C)C(C)(F)F)cc1C ZINC001715685839 1420294229 /nfs/dbraw/zinc/29/42/29/1420294229.db2.gz VKKZPWGTJCUHIZ-KBPBESRZSA-N 1 0 342.430 3.279 10 10 EGCERO COc1ccc(C[NH2+]C/C=C/CNC(=O)/C=C\c2ccco2)cc1C ZINC001716262368 1420587151 /nfs/dbraw/zinc/58/71/51/1420587151.db2.gz GNVDEUUIPSUFTN-USGIZOSYSA-N 1 0 340.423 3.072 10 10 EGCERO COc1ccc(C[NH2+]C/C=C/CNC(=O)/C=C(/C)C2CC2)cc1C ZINC001716271643 1420590017 /nfs/dbraw/zinc/59/00/17/1420590017.db2.gz CHTSUUIQQZGMHI-JKCNJQJSSA-N 1 0 328.456 3.122 10 10 EGCERO CCCCC[NH2+]C[C@H]1C[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001725367980 1426017677 /nfs/dbraw/zinc/01/76/77/1426017677.db2.gz CPCKXPFLKLCXHT-SAZUREKKSA-N 1 0 345.447 3.137 10 10 EGCERO COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)C[C@H]2C=CCC2)cc1C ZINC001725479605 1426154689 /nfs/dbraw/zinc/15/46/89/1426154689.db2.gz NODLEPYDMJZMJE-IRXDYDNUSA-N 1 0 330.472 3.296 10 10 EGCERO COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]2CCC2(C)C)cc1C ZINC001734339044 1438060383 /nfs/dbraw/zinc/06/03/83/1438060383.db2.gz JTDIZHRWJSMVQU-RDJZCZTQSA-N 1 0 332.488 3.376 10 10 EGCERO COc1ccc(C[NH2+][C@@H]2C[C@@H](C)N(C(=O)CCC(F)F)C2)cc1C ZINC001734421663 1438089969 /nfs/dbraw/zinc/08/99/69/1438089969.db2.gz UZJNYYZIRRKMCZ-UKRRQHHQSA-N 1 0 340.414 3.128 10 10 EGCERO COc1ccc(C[NH2+]C[C@H](NC(=O)[C@@H]2CC23CC3)C(C)(C)C)cc1C ZINC001734569503 1438164163 /nfs/dbraw/zinc/16/41/63/1438164163.db2.gz NDBZAUOHXUWYEQ-WMZOPIPTSA-N 1 0 344.499 3.424 10 10 EGCERO C[C@@H](Nc1ccc(OC2CC[NH+](C)CC2)nc1)c1ccccc1O ZINC000183669185 455318618 /nfs/dbraw/zinc/31/86/18/455318618.db2.gz XZDRLONGTADGJN-CQSZACIVSA-N 1 0 327.428 3.433 10 10 EGCERO CC(=O)N1CC[C@H]([NH2+]Cc2ccc(N3CCCCC3)cc2)[C@H](C)C1 ZINC000084714879 454006242 /nfs/dbraw/zinc/00/62/42/454006242.db2.gz PLEWMJQRXFZMCP-UZLBHIALSA-N 1 0 329.488 3.023 10 10 EGCERO Cc1cc(O)c(C[NH+]2CCC(C(=O)Nc3ccccn3)CC2)cc1C ZINC000058162446 454167239 /nfs/dbraw/zinc/16/72/39/454167239.db2.gz SATRMQHXDACXOO-UHFFFAOYSA-N 1 0 339.439 3.255 10 10 EGCERO CC[C@H]([NH2+]Cc1ccccc1O)c1ccccc1OCC(=O)N(C)C ZINC000071792542 454217743 /nfs/dbraw/zinc/21/77/43/454217743.db2.gz ITIOFDVDPLAISX-KRWDZBQOSA-N 1 0 342.439 3.100 10 10 EGCERO Cc1nc(CN[C@@H](C)c2ccc(N3CC[NH+](C)CC3)cc2)cs1 ZINC000071825377 454225751 /nfs/dbraw/zinc/22/57/51/454225751.db2.gz MPRAQSUUAASIKQ-AWEZNQCLSA-N 1 0 330.501 3.054 10 10 EGCERO CCOc1ccc(O)c(C[N@H+](C)Cc2cn(C)nc2C(F)(F)F)c1 ZINC000092069144 454514188 /nfs/dbraw/zinc/51/41/88/454514188.db2.gz BAKDVDKMJVUXPC-UHFFFAOYSA-N 1 0 343.349 3.175 10 10 EGCERO Cc1ncc(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)c(F)c2)s1 ZINC000123775275 454674158 /nfs/dbraw/zinc/67/41/58/454674158.db2.gz ZIAMMCSYQJPOTM-LBPRGKRZSA-N 1 0 335.448 3.278 10 10 EGCERO O=C(C1CC[NH+](Cc2cc(Cl)ccc2O)CC1)N1CCCCC1 ZINC000162644959 454789918 /nfs/dbraw/zinc/78/99/18/454789918.db2.gz JORJQWAJIHVXPF-UHFFFAOYSA-N 1 0 336.863 3.270 10 10 EGCERO CC[C@@H]([NH2+]C1CCN(c2ncccn2)CC1)c1ccc(N(C)C)cc1 ZINC000155906421 455060629 /nfs/dbraw/zinc/06/06/29/455060629.db2.gz FJWLHGULQUXCKI-LJQANCHMSA-N 1 0 339.487 3.252 10 10 EGCERO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H](Cn3cncn3)C2)cc1 ZINC000128486989 455061302 /nfs/dbraw/zinc/06/13/02/455061302.db2.gz YVQALCXOEIVCKL-GOSISDBHSA-N 1 0 327.476 3.037 10 10 EGCERO Cc1cc(Cl)cc(C[N@H+]2CCC[C@H]([C@@H](O)c3nccn3C)C2)c1O ZINC000245867636 455388704 /nfs/dbraw/zinc/38/87/04/455388704.db2.gz QQROPMZVNSGDAB-SUMWQHHRSA-N 1 0 349.862 3.033 10 10 EGCERO COc1cc(Cl)cc(C[NH+]2CCC(Cn3cccn3)CC2)c1O ZINC000184690771 455429551 /nfs/dbraw/zinc/42/95/51/455429551.db2.gz OKHJWXGCPMEBLE-UHFFFAOYSA-N 1 0 335.835 3.163 10 10 EGCERO C[C@@H]([NH2+]C1CCN(c2ncccn2)CC1)c1cc(Cl)ccc1O ZINC000185023559 455488118 /nfs/dbraw/zinc/48/81/18/455488118.db2.gz VJARFCOYPJYUIU-GFCCVEGCSA-N 1 0 332.835 3.155 10 10 EGCERO C[C@H]([NH2+][C@H](CO)C[C@@H](O)C(C)(C)C)c1ccc2ccccc2c1O ZINC000284494025 455695801 /nfs/dbraw/zinc/69/58/01/455695801.db2.gz VKLURMYUMQEFDH-DHSIGJKJSA-N 1 0 331.456 3.354 10 10 EGCERO Cc1cc(C)c([C@@H](C)[NH2+]Cc2cccc(N3CCOCC3)n2)c(O)c1 ZINC000285213741 455804859 /nfs/dbraw/zinc/80/48/59/455804859.db2.gz OOYOYHFJQCDXJT-MRXNPFEDSA-N 1 0 341.455 3.091 10 10 EGCERO Cc1cc(N2CCC[C@H]([NH2+][C@@H](C)c3ccc(C)cc3O)C2)n(C)n1 ZINC000278376475 455834338 /nfs/dbraw/zinc/83/43/38/455834338.db2.gz DWLMGRWSSIAABT-HOTGVXAUSA-N 1 0 328.460 3.062 10 10 EGCERO CC[C@@H]([NH2+][C@H]1CCCN(c2ncccn2)C1)c1ccc(C)cc1O ZINC000280093923 455890121 /nfs/dbraw/zinc/89/01/21/455890121.db2.gz MQWJQTBYENCXSZ-DOTOQJQBSA-N 1 0 326.444 3.200 10 10 EGCERO CC[C@H]([NH2+][C@H](C)c1ccc(Br)cc1O)[C@@H](O)C(F)F ZINC000296563008 455974705 /nfs/dbraw/zinc/97/47/05/455974705.db2.gz SJSPWQSWDOGSJD-INNHCVQGSA-N 1 0 338.192 3.210 10 10 EGCERO C[C@@H]([NH2+]C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1cc(F)ccc1O ZINC000273470328 456233225 /nfs/dbraw/zinc/23/32/25/456233225.db2.gz RXFPMQCYALHAAO-OLZOCXBDSA-N 1 0 338.423 3.439 10 10 EGCERO Cc1ccc(O)c(C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)c1 ZINC000277252085 456745667 /nfs/dbraw/zinc/74/56/67/456745667.db2.gz AGPYVFLRHKEWMD-HOCLYGCPSA-N 1 0 334.460 3.436 10 10 EGCERO COc1ccc(O)c([C@H](C)[NH2+][C@H]2CCc3cnn(C(C)C)c3C2)c1 ZINC000364769738 457690666 /nfs/dbraw/zinc/69/06/66/457690666.db2.gz LZIJQEVPNAXXIV-ZFWWWQNUSA-N 1 0 329.444 3.386 10 10 EGCERO C[C@@H]([NH2+][C@@H]1CCc2nc[nH]c2C1)c1cc(Br)ccc1O ZINC000368102875 458009651 /nfs/dbraw/zinc/00/96/51/458009651.db2.gz QGTNJRGRJSWWQA-MWLCHTKSSA-N 1 0 336.233 3.086 10 10 EGCERO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N(C)C2CC2)C1 ZINC000435527291 458157894 /nfs/dbraw/zinc/15/78/94/458157894.db2.gz RBBOCZMTRYXQKE-UHFFFAOYSA-N 1 0 325.456 3.029 10 10 EGCERO Cc1cc(Cl)cc(C[N@H+]2C[C@@H](C)O[C@]3(CCCOC3)C2)c1O ZINC000373634852 458559297 /nfs/dbraw/zinc/55/92/97/458559297.db2.gz GEFSISIJAOKJIM-CXAGYDPISA-N 1 0 325.836 3.124 10 10 EGCERO CCOc1cccc(C[NH2+]C[C@@]2(C)COc3ccccc3O2)c1O ZINC000527736591 459719202 /nfs/dbraw/zinc/71/92/02/459719202.db2.gz STDYGXPGIXLOKM-IBGZPJMESA-N 1 0 329.396 3.111 10 10 EGCERO COc1ccc(C(C)(C)[NH2+]Cc2cc3c(cc2O)OCO3)cc1F ZINC000527780143 459734416 /nfs/dbraw/zinc/73/44/16/459734416.db2.gz CYLJXAJCYRJALR-UHFFFAOYSA-N 1 0 333.359 3.294 10 10 EGCERO CCOCc1cc(C[NH2+]C[C@@H]2CCN2C2CCCC2)ccc1OC ZINC000527804730 459742293 /nfs/dbraw/zinc/74/22/93/459742293.db2.gz AKRRLMKGQSIBJG-IBGZPJMESA-N 1 0 332.488 3.338 10 10 EGCERO COc1ccc(C[C@H](C)[NH2+]Cc2ccc(N(C)C)cc2)cc1OC ZINC000120567210 1293327874 /nfs/dbraw/zinc/32/78/74/1293327874.db2.gz VIYALOBKADPNMZ-HNNXBMFYSA-N 1 0 328.456 3.491 10 10 EGCERO CN(c1ccc(C[NH2+]C[C@@H](O)CC(C)(C)O)cc1)C1CCCCC1 ZINC000872199833 1296811490 /nfs/dbraw/zinc/81/14/90/1296811490.db2.gz RQHWHVGSNSLJTN-IBGZPJMESA-N 1 0 334.504 3.067 10 10 EGCERO C[NH+](C)CCC[N@H+](C)Cc1cc(Cl)cc(Br)c1[O-] ZINC000708139128 1298235561 /nfs/dbraw/zinc/23/55/61/1298235561.db2.gz FRIJCMSPDBAPFA-UHFFFAOYSA-N 1 0 335.673 3.192 10 10 EGCERO C[C@@H]1C[C@]2(CC[C@@H](C[NH2+]Cc3ccc(N4CCCCC4)cc3)O2)CO1 ZINC000886333668 1303438236 /nfs/dbraw/zinc/43/82/36/1303438236.db2.gz LYFLJERHCFCKMR-JRGCBEDISA-N 1 0 344.499 3.493 10 10 EGCERO COc1cc(C)cc(C[NH2+][C@H]2CCN(c3ncccc3Cl)C2)c1O ZINC000894346913 1306354277 /nfs/dbraw/zinc/35/42/77/1306354277.db2.gz XGRYMIOBGHFPDT-AWEZNQCLSA-N 1 0 347.846 3.126 10 10 EGCERO COC(=O)c1cc(C[NH2+][C@H](C)c2cc(OC)ccc2O)[nH]c1C(C)C ZINC000894782985 1309068981 /nfs/dbraw/zinc/06/89/81/1309068981.db2.gz ONNRDHUDYATBLS-GFCCVEGCSA-N 1 0 346.427 3.490 10 10 EGCERO COc1ccc(O)c(CN(c2ccccn2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC000895110276 1309195616 /nfs/dbraw/zinc/19/56/16/1309195616.db2.gz GWYIFWDEDWHNRZ-WKILWMFISA-N 1 0 327.428 3.072 10 10 EGCERO Oc1ccc(-c2ccccc2)cc1C[NH+]1CCC2(CC1)COCCO2 ZINC000895696324 1309471217 /nfs/dbraw/zinc/47/12/17/1309471217.db2.gz UGULTOQYTTZZIW-UHFFFAOYSA-N 1 0 339.435 3.441 10 10 EGCERO C[C@@H]([NH2+]CCOC1CCOCC1)c1ccc(Br)cc1O ZINC000927077684 1327846905 /nfs/dbraw/zinc/84/69/05/1327846905.db2.gz BLCXTIYSFSAOAB-LLVKDONJSA-N 1 0 344.249 3.001 10 10 EGCERO C/C(=C/c1cccnc1)C(=O)N1C[C@@H]([NH+](C)C)CCc2ccccc21 ZINC000857925738 1328627354 /nfs/dbraw/zinc/62/73/54/1328627354.db2.gz PDVSPSQZXOHAFA-AGWAZZAUSA-N 1 0 335.451 3.395 10 10 EGCERO CC1(C)OC[C@H]2C[C@]21[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000858227609 1328716262 /nfs/dbraw/zinc/71/62/62/1328716262.db2.gz AKBBAMQKSXIDBV-BEFAXECRSA-N 1 0 345.443 3.242 10 10 EGCERO C[C@H]1C[C@H]([NH2+]Cc2ccc3oc(=O)n(C)c3c2)c2c1c(F)ccc2O ZINC000858539737 1328791651 /nfs/dbraw/zinc/79/16/51/1328791651.db2.gz KSCCKHITNRWXBI-GWCFXTLKSA-N 1 0 342.370 3.314 10 10 EGCERO COc1ccc(OCC[N@H+](C)Cc2cc3c(cc2O)CCC3)cc1 ZINC000917066388 1319747397 /nfs/dbraw/zinc/74/73/97/1319747397.db2.gz BVDXGPKGJSMCIJ-UHFFFAOYSA-N 1 0 327.424 3.400 10 10 EGCERO c1cc(N2CCOCC2)ccc1C[NH2+]C[C@H]1CCCC2(CCC2)O1 ZINC000922806604 1322622818 /nfs/dbraw/zinc/62/28/18/1322622818.db2.gz YFKDIXCYEOMAAI-LJQANCHMSA-N 1 0 330.472 3.105 10 10 EGCERO CC[C@@H](C[C@@](C)(O)CC)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000924718614 1323130746 /nfs/dbraw/zinc/13/07/46/1323130746.db2.gz ZQDQXBLUTMFIAA-LPHOPBHVSA-N 1 0 338.467 3.082 10 10 EGCERO Cc1ccc(O)c(CNC(=O)NC2CCC(C)([NH+]3CCCC3)CC2)c1 ZINC000925054821 1323258984 /nfs/dbraw/zinc/25/89/84/1323258984.db2.gz JFSADHHHDFVQOB-UHFFFAOYSA-N 1 0 345.487 3.297 10 10 EGCERO CCC1(N2CCOCC2)CC[NH+](Cc2ccc(N(C)C)c(C)c2)CC1 ZINC000860029981 1329131191 /nfs/dbraw/zinc/13/11/91/1329131191.db2.gz HEKQQMWZWOQYGN-UHFFFAOYSA-N 1 0 345.531 3.138 10 10 EGCERO C[C@@H]([NH2+]CC(C)(C)CS(C)(=O)=O)c1ccc2ccccc2c1O ZINC000926952573 1327791919 /nfs/dbraw/zinc/79/19/19/1327791919.db2.gz BDSKBQIVYVTQFT-CYBMUJFWSA-N 1 0 335.469 3.267 10 10 EGCERO CCc1noc([C@@H]2CC[C@H]([NH2+][C@H](C)c3cc(OC)ccc3O)C2)n1 ZINC000927054737 1327832794 /nfs/dbraw/zinc/83/27/94/1327832794.db2.gz ZNYFZNQUAMRJJC-UPJWGTAASA-N 1 0 331.416 3.333 10 10 EGCERO C[C@H]([NH2+]CCOC1CCOCC1)c1cc(Br)ccc1O ZINC000927078500 1327846961 /nfs/dbraw/zinc/84/69/61/1327846961.db2.gz HHIRGMVCRMXNED-NSHDSACASA-N 1 0 344.249 3.001 10 10 EGCERO CCN(C)c1ccc([C@H](C)[NH2+]C[C@H]2CCN2C2CCOCC2)cc1 ZINC000927105187 1327866555 /nfs/dbraw/zinc/86/65/55/1327866555.db2.gz CWRUEAQMKVXUKU-OXJNMPFZSA-N 1 0 331.504 3.047 10 10 EGCERO C[C@H]1CC[C@H](NC(=O)N(Cc2ccccc2O)C2CCCCC2)C[NH2+]1 ZINC000861686911 1329436403 /nfs/dbraw/zinc/43/64/03/1329436403.db2.gz VCHWDIANMANTHZ-RDJZCZTQSA-N 1 0 345.487 3.377 10 10 EGCERO COC[C@@]1(C)C[N@H+](Cc2c3c(ccc2O)oc2c3CCCC2)CCO1 ZINC000863343314 1329548829 /nfs/dbraw/zinc/54/88/29/1329548829.db2.gz UWITVDJHMGCJKY-HXUWFJFHSA-N 1 0 345.439 3.255 10 10 EGCERO CC[C@@H]1[C@@H](C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)CC[N@@H+]1C ZINC000864637223 1329633234 /nfs/dbraw/zinc/63/32/34/1329633234.db2.gz JZXOQRVXSVYMFS-VQTJNVASSA-N 1 0 343.515 3.366 10 10 EGCERO c1cc(N2CCOCC2)ccc1C[N@@H+]1CCCC[C@H]([C@H]2CCOC2)C1 ZINC000934830935 1330009892 /nfs/dbraw/zinc/00/98/92/1330009892.db2.gz HJVYJMCMUNYSBJ-PMACEKPBSA-N 1 0 344.499 3.162 10 10 EGCERO C[C@@H](CCc1cccnc1)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000866391023 1330105712 /nfs/dbraw/zinc/10/57/12/1330105712.db2.gz ADNONLAOUWUPMV-KRWDZBQOSA-N 1 0 339.483 3.154 10 10 EGCERO C[C@H](NC(=O)NC[C@@H]1CC[N@@H+]1C1CCCCC1)c1ccccc1O ZINC000868803634 1330347538 /nfs/dbraw/zinc/34/75/38/1330347538.db2.gz QICDEVMHEOEAKC-HOCLYGCPSA-N 1 0 331.460 3.159 10 10 EGCERO C[C@H](NC(=O)NC[C@H]1CC[N@@H+]1C1CCCCC1)c1ccccc1O ZINC000868803633 1330347901 /nfs/dbraw/zinc/34/79/01/1330347901.db2.gz QICDEVMHEOEAKC-GOEBONIOSA-N 1 0 331.460 3.159 10 10 EGCERO CC[C@H](C)[C@@H](C)[N@H+](CC(=O)NCc1ccc(N(C)C)cc1)C1CC1 ZINC001190913676 1367381853 /nfs/dbraw/zinc/38/18/53/1367381853.db2.gz NCBCLETYXHJQID-JKSUJKDBSA-N 1 0 331.504 3.268 10 10 EGCERO CCN(C)c1ccc(C[NH+]2CCC(OC)(c3nccn3C)CC2)cc1 ZINC001197458233 1368819157 /nfs/dbraw/zinc/81/91/57/1368819157.db2.gz IBGNMTYZXQVPHM-UHFFFAOYSA-N 1 0 342.487 3.014 10 10 EGCERO CN1CCN(c2ccc(C[NH2+]CC[C@]3(C)CC3(F)F)cc2F)CC1 ZINC001118423261 1371179798 /nfs/dbraw/zinc/17/97/98/1371179798.db2.gz GXFOWCCUYCTRQU-QGZVFWFLSA-N 1 0 341.421 3.103 10 10 EGCERO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]CC1(C2(O)CCOCC2)CC1 ZINC001119607160 1371374115 /nfs/dbraw/zinc/37/41/15/1371374115.db2.gz YAOPJOCTNRPTJP-CABCVRRESA-N 1 0 331.456 3.160 10 10 EGCERO Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2CC[C@H]3C[N@@H+](C)C[C@H]32)cc1 ZINC001135240926 1376996616 /nfs/dbraw/zinc/99/66/16/1376996616.db2.gz OMMQUBBFPIZUNI-DFQSSKMNSA-N 1 0 337.467 3.164 10 10 EGCERO CC/C=C\CC[NH2+][C@H]1C[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001266640509 1377356603 /nfs/dbraw/zinc/35/66/03/1377356603.db2.gz WPMQCXWVUORQFK-VHALSSIQSA-N 1 0 343.431 3.056 10 10 EGCERO COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)C[C@@H](C)SC)cc1C ZINC001283596807 1379042988 /nfs/dbraw/zinc/04/29/88/1379042988.db2.gz ACXKRSLHWZRSNN-HUUCEWRRSA-N 1 0 338.517 3.082 10 10 EGCERO Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N1CC[NH2+][C@H](C(C)C)C1 ZINC001301112816 1383695949 /nfs/dbraw/zinc/69/59/49/1383695949.db2.gz VJTSHGMJBVEJGL-IBGZPJMESA-N 1 0 339.483 3.473 10 10 EGCERO CCC(C)(C)[NH+]1CCN(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)CC1 ZINC001312532552 1384355456 /nfs/dbraw/zinc/35/54/56/1384355456.db2.gz SUHPAPADGPBOID-INIZCTEOSA-N 1 0 346.519 3.329 10 10 EGCERO CCCCCC[N@@H+]1CC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001316994857 1384751332 /nfs/dbraw/zinc/75/13/32/1384751332.db2.gz PNOLUYRFSAPEJO-INIZCTEOSA-N 1 0 345.447 3.233 10 10 EGCERO Cc1cc(C[N@@H+]2CC[C@]3(CCOC3=O)C2)ccc1N1CCCCC1 ZINC001177000660 1385769947 /nfs/dbraw/zinc/76/99/47/1385769947.db2.gz AOAIWXJGKBKXOK-FQEVSTJZSA-N 1 0 328.456 3.124 10 10 EGCERO CCOC(=O)c1cc(C[NH2+][C@H]2C[C@H](C)c3c2c(O)ccc3C)on1 ZINC001329375383 1389082946 /nfs/dbraw/zinc/08/29/46/1389082946.db2.gz KYJVRFGYWMPEPH-AAEUAGOBSA-N 1 0 330.384 3.203 10 10 EGCERO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]CC1C[C@H]2CC[C@@H](C1)S2(=O)=O ZINC001329691069 1389202813 /nfs/dbraw/zinc/20/28/13/1389202813.db2.gz UQADVXLRWHMEIZ-SDKNFDLMSA-N 1 0 349.496 3.194 10 10 EGCERO COc1cc(C[NH+]2CCC(C3(O)CC3)CC2)c(O)c(C(C)(C)C)c1 ZINC001330279742 1389376478 /nfs/dbraw/zinc/37/64/78/1389376478.db2.gz MYOZARPSTNTLBU-UHFFFAOYSA-N 1 0 333.472 3.435 10 10 EGCERO CC[C@H](C)CC(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001330586975 1389462364 /nfs/dbraw/zinc/46/23/64/1389462364.db2.gz IEDCGLUSPZLXKR-WBAXXEDZSA-N 1 0 332.488 3.424 10 10 EGCERO COc1ccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)c2ccccc2F)cc1C ZINC001485116281 1395664479 /nfs/dbraw/zinc/66/44/79/1395664479.db2.gz ORCWERIUVQMXQD-LSDHHAIUSA-N 1 0 344.430 3.439 10 10 EGCERO COc1ccc(C[NH2+][C@@H](CNC(=O)[C@@H]2CC2(C)C)C2CC2)cc1C ZINC001690149654 1404348652 /nfs/dbraw/zinc/34/86/52/1404348652.db2.gz OWBIBKJCFFHZBA-IRXDYDNUSA-N 1 0 330.472 3.034 10 10 EGCERO COc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)C2(C)CC=CC2)cc1C ZINC001732438811 1428581098 /nfs/dbraw/zinc/58/10/98/1428581098.db2.gz YAHOUESHPYUMPQ-INIZCTEOSA-N 1 0 330.472 3.296 10 10 EGCERO CCN(CC[NH2+]Cc1ccc(OC)c(C)c1)C(=O)c1ccc(C)o1 ZINC001699168356 1412549454 /nfs/dbraw/zinc/54/94/54/1412549454.db2.gz GRIRXDLWCPMMBE-UHFFFAOYSA-N 1 0 330.428 3.157 10 10 EGCERO COc1ccc(C[NH2+]C[C@@]2(C)CCN(C(=O)[C@H]3CC34CC4)C2)cc1C ZINC001699848373 1413277268 /nfs/dbraw/zinc/27/72/68/1413277268.db2.gz PLSKMUFLYJVCCF-YLJYHZDGSA-N 1 0 342.483 3.132 10 10 EGCERO COc1ccc(C[NH2+][C@H](C)[C@H](C)NC(=O)c2cccs2)cc1C ZINC001700384795 1413911993 /nfs/dbraw/zinc/91/19/93/1413911993.db2.gz KADZKCWTCCXLIX-KGLIPLIRSA-N 1 0 332.469 3.362 10 10 EGCERO COc1ccc(C[NH2+]C/C=C\CNC(=O)c2c(C)coc2C)cc1C ZINC001732850014 1429009352 /nfs/dbraw/zinc/00/93/52/1429009352.db2.gz YSPUSKMMDDLTRX-WAYWQWQTSA-N 1 0 342.439 3.289 10 10 EGCERO COc1ccc(C[NH2+]CCN(C)C(=O)c2cccc(F)c2C)cc1C ZINC001714710247 1419480220 /nfs/dbraw/zinc/48/02/20/1419480220.db2.gz LRXWJSBTLACADC-UHFFFAOYSA-N 1 0 344.430 3.313 10 10 EGCERO COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)[C@H](C)c2ccco2)cc1C ZINC001717740851 1421604381 /nfs/dbraw/zinc/60/43/81/1421604381.db2.gz HVYBARGKROKBJH-HZPDHXFCSA-N 1 0 344.455 3.337 10 10 EGCERO COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)[C@@H]2C[C@H]2C2CCC2)cc1C ZINC001717745997 1421609327 /nfs/dbraw/zinc/60/93/27/1421609327.db2.gz JAAIQFBIXIUZHX-AYOQOUSVSA-N 1 0 344.499 3.376 10 10 EGCERO COc1ccc(C[NH2+][C@H]2CCN(C(=O)CCCF)[C@H](C)C2)cc1C ZINC001723856570 1424586717 /nfs/dbraw/zinc/58/67/17/1424586717.db2.gz APPKLIMONAFDFC-WBVHZDCISA-N 1 0 336.451 3.222 10 10 EGCERO COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)C2(C3CC3)CC2)cc1C ZINC001725494656 1426173157 /nfs/dbraw/zinc/17/31/57/1426173157.db2.gz JSLCXXUQTYNTQM-OAHLLOKOSA-N 1 0 330.472 3.130 10 10 EGCERO COc1ccc(C[NH2+][C@@H](C)CNC(=O)c2ccc(C)c(F)c2)cc1C ZINC001731602994 1427646996 /nfs/dbraw/zinc/64/69/96/1427646996.db2.gz CSSYJXJZTBYIRZ-HNNXBMFYSA-N 1 0 344.430 3.359 10 10 EGCERO CCOc1ccc2[nH+]c3cc(N)ccc3c(NCC(OC)OC)c2c1 ZINC000098177785 219086729 /nfs/dbraw/zinc/08/67/29/219086729.db2.gz BAAJQUAXVIPQMV-UHFFFAOYSA-N 1 0 341.411 3.400 10 10 EGCERO CC[C@H]([NH2+]Cc1ccnc(C)n1)c1cc(Br)ccc1O ZINC000038037433 213195689 /nfs/dbraw/zinc/19/56/89/213195689.db2.gz JYAZJEZJWHLMLX-AWEZNQCLSA-N 1 0 336.233 3.494 10 10 EGCERO Cc1ccc([C@H](C[NH2+][C@H](C)c2ccccc2O)N2CCOCC2)s1 ZINC000183597605 455310085 /nfs/dbraw/zinc/31/00/85/455310085.db2.gz VJAJVWVLKQNUSK-WBVHZDCISA-N 1 0 346.496 3.486 10 10 EGCERO CC(=O)c1ccc(OC[C@H]2C[NH2+][C@H](c3ccc(N(C)C)cc3)O2)cc1 ZINC000032722770 453885703 /nfs/dbraw/zinc/88/57/03/453885703.db2.gz RYOFAHLLLJAPSX-UXHICEINSA-N 1 0 340.423 3.021 10 10 EGCERO COc1cccc(C[NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)c1 ZINC000071825309 454225956 /nfs/dbraw/zinc/22/59/56/454225956.db2.gz OZHDKGFBDUDYBA-UHFFFAOYSA-N 1 0 344.430 3.085 10 10 EGCERO Fc1cccc2c1CC[C@@H]2[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000071837173 454227685 /nfs/dbraw/zinc/22/76/85/454227685.db2.gz RSMCYYCHPHMNKP-FQEVSTJZSA-N 1 0 326.415 3.439 10 10 EGCERO CCOc1c(OC)cc(C[NH2+]Cc2ccc(N(C)C)cc2)cc1OC ZINC000064616538 454493838 /nfs/dbraw/zinc/49/38/38/454493838.db2.gz MZFPZQUWVGHVOE-UHFFFAOYSA-N 1 0 344.455 3.458 10 10 EGCERO c1ccc(N[C@@H]2CC[N@@H+](Cc3ccc(N4CCOCC4)cc3)C2)cc1 ZINC000092757906 454626386 /nfs/dbraw/zinc/62/63/86/454626386.db2.gz UBPPCZRQSZEKBX-HXUWFJFHSA-N 1 0 337.467 3.210 10 10 EGCERO CN1C(=O)C[C@H]([NH2+]Cc2ccccc2O)[C@H]1c1ccc(Cl)cc1 ZINC000125254503 454808281 /nfs/dbraw/zinc/80/82/81/454808281.db2.gz CQIASLWFZPWTKI-MAUKXSAKSA-N 1 0 330.815 3.107 10 10 EGCERO C[C@@H]([NH2+][C@@H](C)Cn1cncn1)c1ccc(N2CCCCCC2)cc1 ZINC000164178583 454876746 /nfs/dbraw/zinc/87/67/46/454876746.db2.gz QKNSRFSRGHYRPL-DLBZAZTESA-N 1 0 327.476 3.398 10 10 EGCERO CCc1nccn1[C@H]1CCC[N@H+](Cc2cc(OC)c(OC)cc2O)C1 ZINC000180138550 455138716 /nfs/dbraw/zinc/13/87/16/455138716.db2.gz ISZKRFBUVQBDHC-HNNXBMFYSA-N 1 0 345.443 3.005 10 10 EGCERO CC(C)C(=O)N1CC[NH+](Cc2cc(-c3ccccc3)ccc2O)CC1 ZINC000264009796 455181739 /nfs/dbraw/zinc/18/17/39/455181739.db2.gz RSZVBTILEMLOAN-UHFFFAOYSA-N 1 0 338.451 3.359 10 10 EGCERO CCOc1cccc(C[N@H+]2C[C@@H](c3ccsc3)[C@H](CO)C2)c1O ZINC000190289990 455293382 /nfs/dbraw/zinc/29/33/82/455293382.db2.gz FSKIPNZPXSDTST-HOTGVXAUSA-N 1 0 333.453 3.060 10 10 EGCERO Cc1nc(CN2CCC[N@H+](Cc3cccc(C)c3O)CC2)cs1 ZINC000183450188 455294476 /nfs/dbraw/zinc/29/44/76/455294476.db2.gz JRQDLKRASKLKFV-UHFFFAOYSA-N 1 0 331.485 3.173 10 10 EGCERO CCn1cc(C2CC[NH+](Cc3cc(F)cc(C(C)=O)c3O)CC2)cn1 ZINC000175618823 455471798 /nfs/dbraw/zinc/47/17/98/455471798.db2.gz NHBPANXJPQVIOA-UHFFFAOYSA-N 1 0 345.418 3.330 10 10 EGCERO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1CO)c1cc(Br)ccc1O ZINC000185506740 455569672 /nfs/dbraw/zinc/56/96/72/455569672.db2.gz BGXFZSRBFDDCNB-MISXGVKJSA-N 1 0 328.250 3.356 10 10 EGCERO CC(=O)c1cc(F)cc(C[NH2+][C@H](C)[C@@H]2COc3ccccc32)c1O ZINC000185605356 455583963 /nfs/dbraw/zinc/58/39/63/455583963.db2.gz IENCFCDWNRBTHR-DIFFPNOSSA-N 1 0 329.371 3.388 10 10 EGCERO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCCC3)cc2)C12CCOCC2 ZINC000186241309 455723996 /nfs/dbraw/zinc/72/39/96/455723996.db2.gz DLTJQOASZDVDLL-VQTJNVASSA-N 1 0 344.499 3.351 10 10 EGCERO COc1cc(Cl)cc(C[N@@H+]2CC[C@@]3(O)CCCC[C@H]3C2)c1O ZINC000248868316 455735811 /nfs/dbraw/zinc/73/58/11/455735811.db2.gz IVDKAEBTTNANEG-GUYCJALGSA-N 1 0 325.836 3.181 10 10 EGCERO CCO[C@@H]1C[C@H]([NH2+]Cc2cccc(OC)c2O)[C@H]1Oc1ccccc1 ZINC000249466527 455757063 /nfs/dbraw/zinc/75/70/63/455757063.db2.gz SLCKYBXWOYZTLI-ILZDJORESA-N 1 0 343.423 3.115 10 10 EGCERO CCO[C@H]1C[C@H]([NH2+]Cc2cc(Cl)cc(C)c2O)C12CCOCC2 ZINC000186455093 455772291 /nfs/dbraw/zinc/77/22/91/455772291.db2.gz IOOKXRYLKNWDIA-HOTGVXAUSA-N 1 0 339.863 3.418 10 10 EGCERO CC(C)(C)OC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3O)CC[C@@H]2C1 ZINC000293795299 455796647 /nfs/dbraw/zinc/79/66/47/455796647.db2.gz CWJCATNZPAEBSW-IYBDPMFKSA-N 1 0 346.471 3.471 10 10 EGCERO C[C@H]([NH2+][C@@H]1C[C@H]2OCCC[C@@H]12)c1ccc(Br)cc1O ZINC000251854997 455797735 /nfs/dbraw/zinc/79/77/35/455797735.db2.gz NUTVJSMJNMXEHY-GCVYGYKWSA-N 1 0 326.234 3.373 10 10 EGCERO COC1CCN(c2ccc(C[N@H+](C(C)C)[C@H]3CCOC3)cc2)CC1 ZINC000294936860 455833344 /nfs/dbraw/zinc/83/33/44/455833344.db2.gz ACHIBWWAZFLZAB-IBGZPJMESA-N 1 0 332.488 3.301 10 10 EGCERO Cc1cc(Cl)cc(CN2CC[N@H+](C3CCOCC3)C[C@H]2C)c1O ZINC000278632918 455842425 /nfs/dbraw/zinc/84/24/25/455842425.db2.gz KYUZSZXZSWCOGU-CQSZACIVSA-N 1 0 338.879 3.039 10 10 EGCERO C[C@H]([NH2+]Cc1cccc(N2CCOCC2)n1)c1cc(Cl)ccc1O ZINC000274753895 456264115 /nfs/dbraw/zinc/26/41/15/456264115.db2.gz BTHKKFPVFOMZQC-ZDUSSCGKSA-N 1 0 347.846 3.128 10 10 EGCERO O=C([C@@H]1CC12CC[NH+](Cc1ccccc1O)CC2)N1CCCCC1 ZINC000378535308 457406090 /nfs/dbraw/zinc/40/60/90/457406090.db2.gz QNZHUBWOZDGUSZ-KRWDZBQOSA-N 1 0 328.456 3.007 10 10 EGCERO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@@H]2CC2(C)C)C1 ZINC000444017090 457843091 /nfs/dbraw/zinc/84/30/91/457843091.db2.gz CSPYPJVESALSAN-LJQANCHMSA-N 1 0 339.483 3.323 10 10 EGCERO COc1c(O)c(C[NH2+][C@H]2CCCc3nc(C)sc32)ccc1[N+](=O)[O-] ZINC000373209927 458431502 /nfs/dbraw/zinc/43/15/02/458431502.db2.gz XWYFQQBESXWDKD-NSHDSACASA-N 1 0 349.412 3.241 10 10 EGCERO CC[C@@H]([NH2+]Cc1cnn(CC)n1)c1cc(Br)ccc1O ZINC000527921946 459772470 /nfs/dbraw/zinc/77/24/70/459772470.db2.gz ALXNLMSHLZAPQP-CYBMUJFWSA-N 1 0 339.237 3.007 10 10 EGCERO Cc1cc(Br)cc(C[NH2+][C@@H]2[C@H](C)O[C@H](C)[C@H]2C)c1O ZINC000529669763 459833202 /nfs/dbraw/zinc/83/32/02/459833202.db2.gz PDODCIFASHSECU-PUHVVEEASA-N 1 0 328.250 3.365 10 10 EGCERO CC(=O)NCCC[N@H+](Cc1ccccc1O)[C@H](C)c1ccccc1 ZINC000179642767 1294809197 /nfs/dbraw/zinc/80/91/97/1294809197.db2.gz AOVOJKXTRYAJDK-MRXNPFEDSA-N 1 0 326.440 3.482 10 10 EGCERO COc1cc(C)cc(C[NH2+][C@H]2CCN(c3ccccc3OC)C2)c1O ZINC000894330943 1306345891 /nfs/dbraw/zinc/34/58/91/1306345891.db2.gz ZIGBQXLMFLEVLU-INIZCTEOSA-N 1 0 342.439 3.086 10 10 EGCERO COc1ccc(N2CC[C@@H]([NH2+]Cc3cccc4c3NCCC4)C2)cc1 ZINC000895229400 1309247522 /nfs/dbraw/zinc/24/75/22/1309247522.db2.gz UYBTXNHRAVZZTR-GOSISDBHSA-N 1 0 337.467 3.422 10 10 EGCERO CC(=O)c1c(F)cncc1NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000897522626 1310362375 /nfs/dbraw/zinc/36/23/75/1310362375.db2.gz NGFXUVPHDBNGMP-GOSISDBHSA-N 1 0 344.434 3.204 10 10 EGCERO CCN(CCC[NH+]1CCCC1)C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000897531123 1310366487 /nfs/dbraw/zinc/36/64/87/1310366487.db2.gz SCWCOYXWWGNICS-UHFFFAOYSA-N 1 0 348.468 3.261 10 10 EGCERO CCC1([NH+](C)C)CCN(C(=O)c2cc3cc(O)c(O)cc3s2)CC1 ZINC000899163292 1310962083 /nfs/dbraw/zinc/96/20/83/1310962083.db2.gz GFPDCDIPIYMNEV-UHFFFAOYSA-N 1 0 348.468 3.259 10 10 EGCERO COc1cccc([C@H](C)[NH2+]C[C@H](n2cccn2)C(F)(F)F)c1O ZINC000858448830 1328765603 /nfs/dbraw/zinc/76/56/03/1328765603.db2.gz GVGSDOBUAUFNNM-GWCFXTLKSA-N 1 0 329.322 3.052 10 10 EGCERO C[C@@H]([NH2+]CC1(OCCO)CCC(F)(F)CC1)c1cc(F)ccc1O ZINC000858483678 1328775613 /nfs/dbraw/zinc/77/56/13/1328775613.db2.gz WNJAFQYYGHVMSZ-GFCCVEGCSA-N 1 0 347.377 3.139 10 10 EGCERO C[C@@H]1C[C@H]([NH2+]Cc2ccc3oc(=O)n(C)c3c2)c2c1c(F)ccc2O ZINC000858539739 1328791675 /nfs/dbraw/zinc/79/16/75/1328791675.db2.gz KSCCKHITNRWXBI-MFKMUULPSA-N 1 0 342.370 3.314 10 10 EGCERO COc1cc(N2CC[NH+](CC3CC(C)(C)C3)CC2)cc(OC)c1OC ZINC000859253233 1328955299 /nfs/dbraw/zinc/95/52/99/1328955299.db2.gz SCCKWKBQFPUWLC-UHFFFAOYSA-N 1 0 348.487 3.271 10 10 EGCERO CCCN(CC(F)(F)F)C(=O)C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000859258244 1328956442 /nfs/dbraw/zinc/95/64/42/1328956442.db2.gz KZKJVJFJIBCIED-CYBMUJFWSA-N 1 0 345.409 3.204 10 10 EGCERO CCCCNC(=O)[C@H]1CC[C@H](C)[N@H+](Cc2cc3c(cc2O)CCC3)C1 ZINC000921054046 1322249971 /nfs/dbraw/zinc/24/99/71/1322249971.db2.gz SEGMQEYMITXFEV-YJBOKZPZSA-N 1 0 344.499 3.398 10 10 EGCERO CC[C@H](C)[NH2+][C@H](CNC(=O)NCc1c(O)cccc1F)c1ccco1 ZINC000922423670 1322526240 /nfs/dbraw/zinc/52/62/40/1322526240.db2.gz HNNPUTNHWDVFFN-SWLSCSKDSA-N 1 0 349.406 3.053 10 10 EGCERO CCN(CC)c1ccc(CNCc2nc(CN(C)C)cs2)cc1 ZINC000922489015 1322541424 /nfs/dbraw/zinc/54/14/24/1322541424.db2.gz GNFNRMOWLZKHAG-UHFFFAOYSA-N 1 0 332.517 3.341 10 10 EGCERO CC(C)O[C@]1(C[NH2+]Cc2ccc(N3CCCCC3)cc2)CCOC1 ZINC000922611331 1322570413 /nfs/dbraw/zinc/57/04/13/1322570413.db2.gz ZTYVRTSKMSADMR-FQEVSTJZSA-N 1 0 332.488 3.351 10 10 EGCERO C[NH2+]CCOCCNC(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000859617662 1329036570 /nfs/dbraw/zinc/03/65/70/1329036570.db2.gz YGMQCNNETCWAMA-UHFFFAOYSA-N 1 0 341.415 3.460 10 10 EGCERO COc1ccc(N2CCC([NH2+]C[C@@H]3C[C@H]3C(F)(F)F)CC2)cc1 ZINC000922731831 1322605134 /nfs/dbraw/zinc/60/51/34/1322605134.db2.gz QLRHPXQASHJNHE-BLLLJJGKSA-N 1 0 328.378 3.452 10 10 EGCERO c1cc(N2CCCCC2)ccc1C[NH2+]C[C@@H]1CCC2(CCOCC2)O1 ZINC000922809302 1322623497 /nfs/dbraw/zinc/62/34/97/1322623497.db2.gz CWANMBYKKSDKKB-FQEVSTJZSA-N 1 0 344.499 3.495 10 10 EGCERO CC(C)[C@@H]1COCC[C@H]1[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000924759013 1323148173 /nfs/dbraw/zinc/14/81/73/1323148173.db2.gz DTDOUIVXQGIUSO-LEWJYISDSA-N 1 0 346.515 3.046 10 10 EGCERO C[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1)c1ccns1 ZINC000924758791 1323148601 /nfs/dbraw/zinc/14/86/01/1323148601.db2.gz AZRQTTUBDKOAHH-LBPRGKRZSA-N 1 0 335.448 3.094 10 10 EGCERO COc1ccc(N2CCC([NH2+][C@H]3CCOC[C@H]3C(C)C)CC2)cc1 ZINC000924904898 1323207422 /nfs/dbraw/zinc/20/74/22/1323207422.db2.gz DYQPDXVOYBSONH-PMACEKPBSA-N 1 0 332.488 3.315 10 10 EGCERO C[C@@H]([NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C(C)(C)CO ZINC000925163025 1325070310 /nfs/dbraw/zinc/07/03/10/1325070310.db2.gz YXXFJNYHACPRRC-KGLIPLIRSA-N 1 0 342.430 3.253 10 10 EGCERO C[C@@H]1[C@H](NC(=O)N(Cc2ccccc2O)C2CCCCC2)CC[N@@H+]1C ZINC000925326065 1325123681 /nfs/dbraw/zinc/12/36/81/1325123681.db2.gz UKZVQRXNWRYXRT-CRAIPNDOSA-N 1 0 345.487 3.329 10 10 EGCERO Cc1cc(Cl)cc([C@H](C)N[C@@H]2C[NH2+]CC3(CCOCC3)C2)c1O ZINC000925793238 1325303578 /nfs/dbraw/zinc/30/35/78/1325303578.db2.gz RHYIJKCSFWMMRM-ZFWWWQNUSA-N 1 0 338.879 3.163 10 10 EGCERO C[C@H]([NH2+]C[C@@H]1C=C[C@H]2C[C@@H]1CO2)c1ccc(Br)cc1O ZINC000926938143 1327785054 /nfs/dbraw/zinc/78/50/54/1327785054.db2.gz SDDNQDSSMPVLMD-FMSGJZPZSA-N 1 0 338.245 3.396 10 10 EGCERO C[C@@H]([NH2+]C[C@@H]1C=C[C@H]2C[C@@H]1CO2)c1ccc(Br)cc1O ZINC000926938142 1327785116 /nfs/dbraw/zinc/78/51/16/1327785116.db2.gz SDDNQDSSMPVLMD-CZXHOFHRSA-N 1 0 338.245 3.396 10 10 EGCERO CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)S2(=O)=O)c1cc(Cl)ccc1O ZINC000927039999 1327827694 /nfs/dbraw/zinc/82/76/94/1327827694.db2.gz RUUBAXWAEIGZLN-FLTXBFBQSA-N 1 0 343.876 3.195 10 10 EGCERO CC[N@H+](Cc1cnc(C)o1)Cc1cc(Br)ccc1O ZINC000862251156 1329471401 /nfs/dbraw/zinc/47/14/01/1329471401.db2.gz WJYZGUDZRMBALF-UHFFFAOYSA-N 1 0 325.206 3.473 10 10 EGCERO Oc1cccc(Br)c1C[N@@H+]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000862253295 1329471886 /nfs/dbraw/zinc/47/18/86/1329471886.db2.gz KPJPUXAVTITJBI-STQMWFEESA-N 1 0 340.261 3.403 10 10 EGCERO COC(=O)Cc1ccc(C[NH2+]Cc2cc(F)c(N(C)C)cc2F)cc1 ZINC000862447888 1329488532 /nfs/dbraw/zinc/48/85/32/1329488532.db2.gz SDQFSIVOIDXYQS-UHFFFAOYSA-N 1 0 348.393 3.036 10 10 EGCERO Fc1cc(C[N@@H+]2CC[C@H]3CC[C@@H](C2)S3)ccc1N1CCOCC1 ZINC000862473688 1329489242 /nfs/dbraw/zinc/48/92/42/1329489242.db2.gz XWUUEEYWYZWTLM-CVEARBPZSA-N 1 0 336.476 3.132 10 10 EGCERO Cc1cccc(C[NH2+]C[C@@H]2CN(c3ccc(Cl)cc3)CCO2)c1O ZINC000862482327 1329490219 /nfs/dbraw/zinc/49/02/19/1329490219.db2.gz RUDAQPAOTUDAEO-GOSISDBHSA-N 1 0 346.858 3.349 10 10 EGCERO COc1ncc(Br)cc1C[NH2+]Cc1cccc(C)c1O ZINC000862484445 1329490619 /nfs/dbraw/zinc/49/06/19/1329490619.db2.gz PBMAYSPTGTZYKU-UHFFFAOYSA-N 1 0 337.217 3.157 10 10 EGCERO CC[C@@H]([NH2+]CC1([NH3+])CCOCC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000863542544 1329561962 /nfs/dbraw/zinc/56/19/62/1329561962.db2.gz WNICPKVWOYOTBG-CYBMUJFWSA-N 1 0 333.259 3.248 10 10 EGCERO COc1cncc(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)c1C ZINC000865432482 1329696559 /nfs/dbraw/zinc/69/65/59/1329696559.db2.gz YHSFNLNUKVWJSC-INIZCTEOSA-N 1 0 341.455 3.086 10 10 EGCERO Cc1cc(Br)cc([C@@H](C)[NH2+]CC[C@H](O)C(F)F)c1O ZINC000866442180 1330112805 /nfs/dbraw/zinc/11/28/05/1330112805.db2.gz GJNFXHIEAKVYKO-KCJUWKMLSA-N 1 0 338.192 3.130 10 10 EGCERO C[C@@H]1C[C@@H]([NH2+]C[C@H]2CC3(CO2)CCOCC3)c2c1c(F)ccc2O ZINC000866530757 1330122256 /nfs/dbraw/zinc/12/22/56/1330122256.db2.gz CIMXCQTVYUYICX-UMVBOHGHSA-N 1 0 335.419 3.255 10 10 EGCERO COc1ccc(C[NH2+]C[C@@H](NC(=O)[C@@H]2CC23CCC3)C2CC2)cc1C ZINC001323078500 1387284501 /nfs/dbraw/zinc/28/45/01/1387284501.db2.gz TVSIVHXIZSDKSA-ZWKOTPCHSA-N 1 0 342.483 3.178 10 10 EGCERO O=C1C[C@H](c2ccccc2)[N@H+](Cc2ccc(N3CCCC3)cc2)CCN1 ZINC001116440078 1370911103 /nfs/dbraw/zinc/91/11/03/1370911103.db2.gz KEIRYOPGQWWGMJ-OAQYLSRUSA-N 1 0 349.478 3.350 10 10 EGCERO CC1(C)C[N@H+](Cc2ccc(N3CCCC3)cc2)C[C@]2(CCOC2)O1 ZINC001116866196 1370990060 /nfs/dbraw/zinc/99/00/60/1370990060.db2.gz VTSZQCWQZIPDOF-FQEVSTJZSA-N 1 0 330.472 3.057 10 10 EGCERO CN(C)c1ccc([C@H](CNC(=O)[C@H]2CCCC3(CC3)C2)[NH+](C)C)cc1 ZINC001134686154 1376658161 /nfs/dbraw/zinc/65/81/61/1376658161.db2.gz BMQLKYPNVZZIHB-HKUYNNGSSA-N 1 0 343.515 3.442 10 10 EGCERO COc1ccc(C[NH2+]C[C@@H](C2CC2)N(C)C(=O)C=C2CCC2)cc1C ZINC001283495216 1378988632 /nfs/dbraw/zinc/98/86/32/1378988632.db2.gz VYVZDDGGJKYNIA-IBGZPJMESA-N 1 0 342.483 3.441 10 10 EGCERO CN(C)c1ccc(C[N@H+](C)[C@H]2CCCN(c3ccccc3)C2=O)cc1 ZINC001167387288 1383619744 /nfs/dbraw/zinc/61/97/44/1383619744.db2.gz RKVWUNQUFYNNJB-FQEVSTJZSA-N 1 0 337.467 3.380 10 10 EGCERO COc1ccc(C[NH2+][C@H]2C[C@H](CNC(=O)C[C@H]3C=CCC3)C2)cc1C ZINC001316627030 1384491756 /nfs/dbraw/zinc/49/17/56/1384491756.db2.gz RSTKGFCYJMLJAC-WDSOQIARSA-N 1 0 342.483 3.344 10 10 EGCERO COc1ccc(C[NH2+][C@@H](C)CNC(=O)[C@H]2CC23CCCC3)cc1C ZINC001317275165 1385044302 /nfs/dbraw/zinc/04/43/02/1385044302.db2.gz IODZFKJMLITQAS-DOTOQJQBSA-N 1 0 330.472 3.178 10 10 EGCERO COc1ccc(C[NH2+][C@H]2CCN(C(=O)/C=C\C(C)(C)C)C2)cc1C ZINC001317296587 1385068174 /nfs/dbraw/zinc/06/81/74/1385068174.db2.gz ABWGCYICVUZAKV-PXAMLJHWSA-N 1 0 330.472 3.296 10 10 EGCERO CC(=O)NCc1ccc(C[NH2+]Cc2ccc(N3CCCC3)cc2)cc1 ZINC001329546847 1389151264 /nfs/dbraw/zinc/15/12/64/1389151264.db2.gz AZWDFXVNUFJAFM-UHFFFAOYSA-N 1 0 337.467 3.213 10 10 EGCERO CCOc1ccc(N2CCN(Cc3c(C)noc3CC)CC2)cc1 ZINC001333145366 1390256471 /nfs/dbraw/zinc/25/64/71/1390256471.db2.gz XHYVZWQJYLBLFV-UHFFFAOYSA-N 1 0 329.444 3.266 10 10 EGCERO CN1CCN(c2ccc(C[N@@H+]3CC[C@H]4CC[C@@H](C3)S4)cc2F)CC1 ZINC001335328451 1390672707 /nfs/dbraw/zinc/67/27/07/1390672707.db2.gz ABHWAKRCTXWLDS-SJORKVTESA-N 1 0 349.519 3.047 10 10 EGCERO NC(=O)CC1(C[NH2+]Cc2ccc(N3CCCC3)cc2)CCCCC1 ZINC001350144744 1391420752 /nfs/dbraw/zinc/42/07/52/1391420752.db2.gz GFJZPEANPAEHNW-UHFFFAOYSA-N 1 0 329.488 3.202 10 10 EGCERO C[C@H]([NH2+]C[C@H](O)CC[C@H](O)c1ccccc1)c1ccc(N(C)C)cc1 ZINC001351320497 1391626781 /nfs/dbraw/zinc/62/67/81/1391626781.db2.gz OCTKHSLFULKPRJ-DQLDELGASA-N 1 0 342.483 3.278 10 10 EGCERO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H](C)C(C)(F)F)C2)cc1C ZINC001480223678 1392627028 /nfs/dbraw/zinc/62/70/28/1392627028.db2.gz HRGUHGSDNVATJP-YUELXQCFSA-N 1 0 340.414 3.032 10 10 EGCERO C=C/C(C)=C/CC(=O)N1CC[C@@H](C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001480662619 1392841374 /nfs/dbraw/zinc/84/13/74/1392841374.db2.gz UUIKSBOXPVGMJK-HIZIYNLSSA-N 1 0 342.483 3.464 10 10 EGCERO COc1ccc(C[NH2+][C@H](C)[C@H](C)NC(=O)c2ccncc2C)cc1C ZINC001485148582 1395668373 /nfs/dbraw/zinc/66/83/73/1395668373.db2.gz UVPRNMFAVWEISC-CVEARBPZSA-N 1 0 341.455 3.004 10 10 EGCERO C/C=C(/C)C(=O)N1CC[C@](C)(C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001500335925 1396186684 /nfs/dbraw/zinc/18/66/84/1396186684.db2.gz XSJVEUVEQLMQJR-ODWAIBJASA-N 1 0 330.472 3.298 10 10 EGCERO COc1ccc(C[NH2+][C@H](C)CNC(=O)C(F)=C2CCCC2)cc1C ZINC001690566649 1404634823 /nfs/dbraw/zinc/63/48/23/1404634823.db2.gz MMRHEQMFOGWFOC-CQSZACIVSA-N 1 0 334.435 3.396 10 10 EGCERO COc1ccc(C[NH2+][C@H](C)CNC(=O)c2ccc(C)cc2)cc1C ZINC001690642005 1404674509 /nfs/dbraw/zinc/67/45/09/1404674509.db2.gz WSBIUHVXHGKPQB-MRXNPFEDSA-N 1 0 326.440 3.220 10 10 EGCERO COc1ccc(C[NH2+]C[C@H](C)NC(=O)C[C@@H](C)c2ccco2)cc1C ZINC001699428500 1412745480 /nfs/dbraw/zinc/74/54/80/1412745480.db2.gz YUFMFYCIKCOHHI-CVEARBPZSA-N 1 0 344.455 3.385 10 10 EGCERO C/C=C(\C)C(=O)N1CC[C@@H](CC[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001700056065 1413476584 /nfs/dbraw/zinc/47/65/84/1413476584.db2.gz ZOJBHLXCINRVEG-ZNZANGIRSA-N 1 0 330.472 3.298 10 10 EGCERO COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)C2CC(C)(C)C2)cc1C ZINC001700746343 1414414825 /nfs/dbraw/zinc/41/48/25/1414414825.db2.gz RUDAYTGQBFSYQO-OAHLLOKOSA-N 1 0 332.488 3.376 10 10 EGCERO CCn1cccc1C(=O)N[C@@H](C)CC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001732754088 1428949402 /nfs/dbraw/zinc/94/94/02/1428949402.db2.gz QCPZXIUIPMXHHW-INIZCTEOSA-N 1 0 343.471 3.123 10 10 EGCERO COc1ccc(C[NH2+][C@@H](CNC(=O)CC(C)(F)F)C2CC2)cc1C ZINC001713117863 1417683354 /nfs/dbraw/zinc/68/33/54/1417683354.db2.gz DKKPRZMOVGKSTM-HNNXBMFYSA-N 1 0 340.414 3.033 10 10 EGCERO COc1ccc(C[NH2+][C@@H](C)CNC(=O)[C@@]2(C)CC=CCC2)cc1C ZINC001714238339 1419028134 /nfs/dbraw/zinc/02/81/34/1419028134.db2.gz PZTCZYWQAKJVEZ-JXFKEZNVSA-N 1 0 330.472 3.344 10 10 EGCERO CC[C@@H](C)CC(=O)N1CC[C@@H](C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001714344188 1419116380 /nfs/dbraw/zinc/11/63/80/1419116380.db2.gz CNAODQQISZSUDQ-QAPCUYQASA-N 1 0 332.488 3.378 10 10 EGCERO C[N@H+](CCNC(=O)c1ccc(N=NC(N)=O)cc1)CC1=CCCCC1 ZINC001714574698 1419309061 /nfs/dbraw/zinc/30/90/61/1419309061.db2.gz VVIDLDLQSYCVHL-UHFFFAOYSA-N 1 0 343.431 3.011 10 10 EGCERO CC(C)C[NH2+]C[C@@H](CC(C)C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001714945275 1419688408 /nfs/dbraw/zinc/68/84/08/1419688408.db2.gz NLFMTNBPMCPBDF-MRXNPFEDSA-N 1 0 347.463 3.239 10 10 EGCERO CCN(CC[NH2+]Cc1ccc(OC)c(C)c1)C(=O)C[C@@H]1C=CCC1 ZINC001716206134 1420566003 /nfs/dbraw/zinc/56/60/03/1420566003.db2.gz VYFVQLQRXLALBU-QGZVFWFLSA-N 1 0 330.472 3.298 10 10 EGCERO COc1ccc(C[NH2+]CC(C)(C)CN(C)C(=O)C2CCC2)cc1C ZINC001717448646 1421378385 /nfs/dbraw/zinc/37/83/85/1421378385.db2.gz BRDYKNMGVYDRGY-UHFFFAOYSA-N 1 0 332.488 3.378 10 10 EGCERO CC/C=C(\C)C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001717636747 1421544598 /nfs/dbraw/zinc/54/45/98/1421544598.db2.gz CEAPFCAQFVCZMC-SCRGCVCUSA-N 1 0 330.472 3.344 10 10 EGCERO COc1ccc(C[NH2+][C@@H](CNC(=O)C[C@@H]2C=CCC2)C2CC2)cc1C ZINC001731397894 1427356132 /nfs/dbraw/zinc/35/61/32/1427356132.db2.gz ZEAWVVHDFLZXDK-APWZRJJASA-N 1 0 342.483 3.344 10 10 EGCERO COc1ccc(C[NH2+][C@H](C)CNC(=O)[C@H]2CCC(C)(C)C2)cc1C ZINC001731619384 1427668129 /nfs/dbraw/zinc/66/81/29/1427668129.db2.gz QIZUTLOVAULPAG-WBVHZDCISA-N 1 0 332.488 3.424 10 10 EGCERO C[C@@H](CN(C)C(=O)c1ccc(N=NC(N)=O)cc1)[NH2+]CCC(C)(C)C ZINC001734356479 1438073835 /nfs/dbraw/zinc/07/38/35/1438073835.db2.gz KIKAPIHAEOTYQQ-ZDUSSCGKSA-N 1 0 347.463 3.335 10 10 EGCERO COc1ccc(C[NH2+][C@H]2C[C@H](C)N(C(=O)CCC(F)F)C2)cc1C ZINC001734421664 1438089915 /nfs/dbraw/zinc/08/99/15/1438089915.db2.gz UZJNYYZIRRKMCZ-ZFWWWQNUSA-N 1 0 340.414 3.128 10 10 EGCERO CC(C)CC[NH2+][C@@H]1C[C@H](C)N(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001734428203 1438092742 /nfs/dbraw/zinc/09/27/42/1438092742.db2.gz KTBGCVKKUJMZPU-XJKSGUPXSA-N 1 0 345.447 3.088 10 10 EGCERO COc1cccc(CN(CC[NH+](C)C)Cc2ccccc2C)c1O ZINC000055154573 214280662 /nfs/dbraw/zinc/28/06/62/214280662.db2.gz TUBSTKAGDBQHSV-UHFFFAOYSA-N 1 0 328.456 3.273 10 10 EGCERO Oc1c(C[NH+]2CCN(Cc3ccccc3)CC2)ccc2cccnc21 ZINC000022884708 212331677 /nfs/dbraw/zinc/33/16/77/212331677.db2.gz PWSBESQKEQTQNB-UHFFFAOYSA-N 1 0 333.435 3.258 10 10 EGCERO CCOc1cccc(C[N@@H+]2CCC[C@H](n3ccnc3CC)C2)c1O ZINC000122882633 454578892 /nfs/dbraw/zinc/57/88/92/454578892.db2.gz UBJWWGNSSLHJMM-INIZCTEOSA-N 1 0 329.444 3.387 10 10 EGCERO CC[C@H]([NH2+][C@H]1CCCN(c2cnn(C)c2)C1)c1ccc(N(C)C)cc1 ZINC000166557518 454913586 /nfs/dbraw/zinc/91/35/86/454913586.db2.gz FEXBHXGMNQSYQH-PXNSSMCTSA-N 1 0 341.503 3.196 10 10 EGCERO CC[C@@H]([NH2+][C@@H]1CCCN(c2cnn(C)c2)C1)c1ccc(N(C)C)cc1 ZINC000166557414 454913845 /nfs/dbraw/zinc/91/38/45/454913845.db2.gz FEXBHXGMNQSYQH-YLJYHZDGSA-N 1 0 341.503 3.196 10 10 EGCERO CCN(C)c1ccc([C@H](C)[NH2+][C@@H]2CCCN(c3ncccn3)C2)cc1 ZINC000178191335 454941891 /nfs/dbraw/zinc/94/18/91/454941891.db2.gz TVXMXCCGFIQYRN-FUHWJXTLSA-N 1 0 339.487 3.252 10 10 EGCERO CC[C@H]([NH2+]C1CCN(c2ncccn2)CC1)c1ccc(N(C)C)cc1 ZINC000155906303 455060416 /nfs/dbraw/zinc/06/04/16/455060416.db2.gz FJWLHGULQUXCKI-IBGZPJMESA-N 1 0 339.487 3.252 10 10 EGCERO Cc1cccc(C[NH+]2CCC(C(=O)N3CCCCCC3)CC2)c1O ZINC000179613000 455061301 /nfs/dbraw/zinc/06/13/01/455061301.db2.gz FXQNJNROMZIMPT-UHFFFAOYSA-N 1 0 330.472 3.315 10 10 EGCERO Cc1nc(C)n(C[C@@H]2CCC[N@H+](Cc3cc(Cl)cc(C)c3O)C2)n1 ZINC000180121559 455135284 /nfs/dbraw/zinc/13/52/84/455135284.db2.gz SVYLMSGBPUTADX-OAHLLOKOSA-N 1 0 348.878 3.475 10 10 EGCERO C[C@H]([NH2+]C[C@@](C)(O)c1ccccc1)c1ccc(N2CCOCC2)cc1 ZINC000264913564 455296966 /nfs/dbraw/zinc/29/69/66/455296966.db2.gz ZVQJMPCZVOOZKJ-LAUBAEHRSA-N 1 0 340.467 3.082 10 10 EGCERO C[C@@H]([NH2+]Cc1cccnc1-n1cccn1)c1ccc(F)c(F)c1[O-] ZINC000191199258 455462622 /nfs/dbraw/zinc/46/26/22/455462622.db2.gz MCCVLLSVAFDPFZ-LLVKDONJSA-N 1 0 330.338 3.102 10 10 EGCERO Cc1cc(Cl)cc(C[NH2+][C@H]2CCO[C@@]3(CCSC3)C2)c1O ZINC000182636447 455558387 /nfs/dbraw/zinc/55/83/87/455558387.db2.gz QKSYZDRWKJNLBU-HOCLYGCPSA-N 1 0 327.877 3.498 10 10 EGCERO CCN(C)c1ccc([C@@H](C)[NH2+][C@H]2CCCN(c3ncccn3)C2)cc1 ZINC000247154247 455567136 /nfs/dbraw/zinc/56/71/36/455567136.db2.gz TVXMXCCGFIQYRN-AEFFLSMTSA-N 1 0 339.487 3.252 10 10 EGCERO C[C@H]([NH2+]C[C@@H]1CCCC[C@@H]1O)c1cc(Br)ccc1O ZINC000185531061 455573992 /nfs/dbraw/zinc/57/39/92/455573992.db2.gz LOFPERHWOCTTNL-MJVIPROJSA-N 1 0 328.250 3.356 10 10 EGCERO Cc1cc(Cl)cc(C[NH2+][C@@H](C2CC2)C2(CO)CCOCC2)c1O ZINC000294152732 455806714 /nfs/dbraw/zinc/80/67/14/455806714.db2.gz VMMJZYHZEOCLFR-KRWDZBQOSA-N 1 0 339.863 3.011 10 10 EGCERO COC1CCN(c2ccc(C[N@@H+]3CC[C@H](C)[C@@H](OC)C3)cc2)CC1 ZINC000295930624 455863609 /nfs/dbraw/zinc/86/36/09/455863609.db2.gz HEYUAETZRGWPLZ-JXFKEZNVSA-N 1 0 332.488 3.159 10 10 EGCERO CC1(C)C[N@H+](Cc2c(O)ccc3ccccc32)C[C@]2(CCOC2)O1 ZINC000280194557 455913698 /nfs/dbraw/zinc/91/36/98/455913698.db2.gz HPLPFIIYSWEFBD-FQEVSTJZSA-N 1 0 327.424 3.315 10 10 EGCERO CCOCc1cc(C[NH2+][C@H]2CC[C@@H](C(=O)OCC)C2)ccc1OC ZINC000280640416 456020590 /nfs/dbraw/zinc/02/05/90/456020590.db2.gz IIQCGEZMAVKGPW-WBVHZDCISA-N 1 0 335.444 3.053 10 10 EGCERO Cc1cc(Cl)cc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H](CO)C2)c1O ZINC000289593694 456132198 /nfs/dbraw/zinc/13/21/98/456132198.db2.gz KMVDSYWRNLIWGN-WCQYABFASA-N 1 0 337.769 3.347 10 10 EGCERO CCN(CC)c1ccc(C[NH2+]Cc2cnnn2Cc2ccccc2)cc1 ZINC000291893743 456790708 /nfs/dbraw/zinc/79/07/08/456790708.db2.gz IHLHSQQYFYLFDP-UHFFFAOYSA-N 1 0 349.482 3.462 10 10 EGCERO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@H]2CC[C@H]2C)C1 ZINC000356749350 457147338 /nfs/dbraw/zinc/14/73/38/457147338.db2.gz OTQLCXJKGKVWNI-QAPCUYQASA-N 1 0 339.483 3.323 10 10 EGCERO O=C1C[C@H]([C@@H]2CCCC[N@@H+]2Cc2ccc(N3CCCCC3)cc2)CN1 ZINC000360809558 457363854 /nfs/dbraw/zinc/36/38/54/457363854.db2.gz KRPGFKJRTWOZOY-ICSRJNTNSA-N 1 0 341.499 3.168 10 10 EGCERO CCOc1ccc(O)c(C[NH+]2CCC(Oc3ncccc3F)CC2)c1 ZINC000370090372 457537654 /nfs/dbraw/zinc/53/76/54/457537654.db2.gz GDPJMBMMTUOESY-UHFFFAOYSA-N 1 0 346.402 3.368 10 10 EGCERO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@H]2CC2(C)C)C1 ZINC000444017089 457842825 /nfs/dbraw/zinc/84/28/25/457842825.db2.gz CSPYPJVESALSAN-IBGZPJMESA-N 1 0 339.483 3.323 10 10 EGCERO Oc1ccc(Br)cc1C[N@@H+]1CC[C@]2(C1)CCCOC2 ZINC000367438455 457954731 /nfs/dbraw/zinc/95/47/31/457954731.db2.gz NBZCOVHHXHBGNB-HNNXBMFYSA-N 1 0 326.234 3.157 10 10 EGCERO Cc1ccc([C@@H](C)[NH2+][C@H]2CCCN(c3cnn(C)c3)C2)c(O)c1C ZINC000368316220 458025702 /nfs/dbraw/zinc/02/57/02/458025702.db2.gz OHGYDCZZMUNPLW-CVEARBPZSA-N 1 0 328.460 3.062 10 10 EGCERO COc1ccc(N2CCC([NH2+]Cc3ccc(CO)c(F)c3)CC2)cc1 ZINC000371974050 458145620 /nfs/dbraw/zinc/14/56/20/458145620.db2.gz MZVBMJIHASPECH-UHFFFAOYSA-N 1 0 344.430 3.085 10 10 EGCERO C[C@H](N[C@H]1CC[NH2+]C12CCC2)c1cc(Br)c(F)cc1[O-] ZINC000530215553 458719501 /nfs/dbraw/zinc/71/95/01/458719501.db2.gz HLXOSLXESGQWIF-XPTSAGLGSA-N 1 0 343.240 3.229 10 10 EGCERO COc1cc(O)c(C[NH2+][C@@H]2[C@@H]3Cc4cc(Cl)ccc4[C@@H]32)cc1OC ZINC000529643896 459831808 /nfs/dbraw/zinc/83/18/08/459831808.db2.gz VYJXIVVTVFSVBY-MDASCCDHSA-N 1 0 345.826 3.491 10 10 EGCERO Cc1cc(Cl)cc(C[NH2+]C[C@H](n2cccn2)C(F)(F)F)c1O ZINC000529637056 459831849 /nfs/dbraw/zinc/83/18/49/459831849.db2.gz MYMPITFQJGAKGQ-LBPRGKRZSA-N 1 0 333.741 3.444 10 10 EGCERO CCC[N@@H+]1CCC[C@@H]1C(=O)NCc1ccc(N(CC)CC)c(F)c1 ZINC000731345285 575067278 /nfs/dbraw/zinc/06/72/78/575067278.db2.gz KZCKQKFMGNMGNZ-GOSISDBHSA-N 1 0 335.467 3.163 10 10 EGCERO CCOC(=O)CC[C@@H]1CCC[N@H+](Cc2cc(C)cc(OC)c2O)C1 ZINC000164596320 1294351530 /nfs/dbraw/zinc/35/15/30/1294351530.db2.gz HGVIJSWKFQGIQL-HNNXBMFYSA-N 1 0 335.444 3.265 10 10 EGCERO COc1cc(O)c(C[N@H+](C)[C@H](C)Cc2ccc(O)cc2)cc1OC ZINC000180192640 1294868726 /nfs/dbraw/zinc/86/87/26/1294868726.db2.gz YYMNRUYHJZRENM-CYBMUJFWSA-N 1 0 331.412 3.178 10 10 EGCERO Cc1cccc(C[N@@H+]2C[C@@H]3CC[C@H](NC(=O)OC(C)(C)C)[C@@H]3C2)c1O ZINC000184241183 1295181994 /nfs/dbraw/zinc/18/19/94/1295181994.db2.gz DVCOYBJWJTTXNX-UAGQMJEPSA-N 1 0 346.471 3.436 10 10 EGCERO Cc1nccnc1[C@@H](C)[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000872135861 1296760130 /nfs/dbraw/zinc/76/01/30/1296760130.db2.gz YHOFOGJLLRWALL-DZGCQCFKSA-N 1 0 344.434 3.173 10 10 EGCERO Oc1cccc(Br)c1CN1CCC[C@]2(CCC[NH2+]C2)C1 ZINC000706843036 1298224646 /nfs/dbraw/zinc/22/46/46/1298224646.db2.gz LVDDDQQFHCRPIT-INIZCTEOSA-N 1 0 339.277 3.120 10 10 EGCERO COC(=O)c1c(C[NH2+]CCc2ccco2)c2cc(F)ccc2n1C ZINC000894147879 1306245675 /nfs/dbraw/zinc/24/56/75/1306245675.db2.gz QYYBLBUJZPUPJB-UHFFFAOYSA-N 1 0 330.359 3.029 10 10 EGCERO COC(=O)c1c(C[NH2+][C@@H]2C[C@@H](C)O[C@@H](C)C2)c2cc(F)ccc2n1C ZINC000894368746 1306362808 /nfs/dbraw/zinc/36/28/08/1306362808.db2.gz TVIUYTCZAWDFOD-DABQJJPHSA-N 1 0 348.418 3.150 10 10 EGCERO CN(C)c1ccc(/C=C/C[NH2+]Cc2cnc(Br)cn2)cc1 ZINC000895407276 1309321450 /nfs/dbraw/zinc/32/14/50/1309321450.db2.gz PXSDJBGWNHYIHF-ONEGZZNKSA-N 1 0 347.260 3.108 10 10 EGCERO COc1cc(C)cc(C[N@H+]2Cc3cccnc3N3CCC[C@H]3C2)c1O ZINC000895462771 1309350534 /nfs/dbraw/zinc/35/05/34/1309350534.db2.gz WRJKZEAYIZASOT-KRWDZBQOSA-N 1 0 339.439 3.089 10 10 EGCERO Cc1cc(Br)cc(C[NH2+]CCc2ccns2)c1O ZINC000895529317 1309386438 /nfs/dbraw/zinc/38/64/38/1309386438.db2.gz JCDKZCPLZGFHEW-UHFFFAOYSA-N 1 0 327.247 3.252 10 10 EGCERO COc1cc(Br)cc(C[N@@H+]2C[C@@H](OC)CC[C@@H]2C)c1O ZINC000895945275 1309604826 /nfs/dbraw/zinc/60/48/26/1309604826.db2.gz IPLOWWUFALJCPK-GWCFXTLKSA-N 1 0 344.249 3.163 10 10 EGCERO C[C@H](NC(=O)c1cc2cc(O)c(O)cc2s1)C(C)(C)C[NH+](C)C ZINC000896658275 1309962681 /nfs/dbraw/zinc/96/26/81/1309962681.db2.gz RXRIJWKOYXXAHR-JTQLQIEISA-N 1 0 336.457 3.019 10 10 EGCERO C[C@@H]([NH2+][C@H]1c2ccccc2CN(C)C1=O)c1ccc(Cl)cc1O ZINC000857877005 1328613011 /nfs/dbraw/zinc/61/30/11/1328613011.db2.gz LDBBYCJQLBFBGV-DIFFPNOSSA-N 1 0 330.815 3.410 10 10 EGCERO Cc1ccc(/C=C/C(=O)N2C[C@H]([NH+](C)C)CCc3ccccc32)cn1 ZINC000857925653 1328627239 /nfs/dbraw/zinc/62/72/39/1328627239.db2.gz ALHRINKLPSICRI-YFPIXMDGSA-N 1 0 335.451 3.313 10 10 EGCERO C[C@@H]1CCCCN1CC[NH2+]Cc1c(O)cccc1Br ZINC000858099067 1328681534 /nfs/dbraw/zinc/68/15/34/1328681534.db2.gz UZHSDEYPBDVYML-GFCCVEGCSA-N 1 0 327.266 3.119 10 10 EGCERO CN(C)c1cc(F)c(C[NH2+][C@H]2CCCc3[nH]c(=O)ccc32)cc1F ZINC000858115502 1328686982 /nfs/dbraw/zinc/68/69/82/1328686982.db2.gz KWNNCBVXPWBVCD-HNNXBMFYSA-N 1 0 333.382 3.299 10 10 EGCERO CN(C)c1ccc(/C=C/C[NH2+]C[C@@H](n2cccn2)C(F)(F)F)cc1 ZINC000858208549 1328712076 /nfs/dbraw/zinc/71/20/76/1328712076.db2.gz IBWGKGRLJKSUHK-LLCTXKFZSA-N 1 0 338.377 3.356 10 10 EGCERO CC(C)(C[NH2+]Cc1ccc(N2CCCCC2)cc1)C(=O)N1CCCC1 ZINC000858294462 1328731151 /nfs/dbraw/zinc/73/11/51/1328731151.db2.gz MPUCCNGGZNESIM-UHFFFAOYSA-N 1 0 343.515 3.415 10 10 EGCERO C[C@@H]([NH2+][C@@H](CO)c1ccnn1C)c1ccc(N2CCCCCC2)cc1 ZINC000858434181 1328761526 /nfs/dbraw/zinc/76/15/26/1328761526.db2.gz CTEJPOSLCZIOEZ-APWZRJJASA-N 1 0 342.487 3.185 10 10 EGCERO C[C@H]([NH2+]C[C@@H](O)[C@@H]1CCCO1)c1ccc(N2CCCCC2)c(F)c1 ZINC000858468625 1328770591 /nfs/dbraw/zinc/77/05/91/1328770591.db2.gz KFOARMRWJGNXDA-KYNGSXCRSA-N 1 0 336.451 3.007 10 10 EGCERO C[C@H]([NH2+][C@@H]1CCN(C2CCC2)C1=O)c1ccc(N2CCCCC2)cc1 ZINC000858602468 1328806557 /nfs/dbraw/zinc/80/65/57/1328806557.db2.gz ADKSGEHUWOMCKE-OXJNMPFZSA-N 1 0 341.499 3.481 10 10 EGCERO COc1ccc2c(c1)C[C@@H](C[NH2+][C@H](C)c1cc(OC)ccc1O)O2 ZINC000930216411 1328813866 /nfs/dbraw/zinc/81/38/66/1328813866.db2.gz HEWQOQOTQAGNDO-WBMJQRKESA-N 1 0 329.396 3.064 10 10 EGCERO Cc1cc(C(=O)CN2CCC[N@@H+](C)CC2)c(C)n1-c1ccc(F)cc1 ZINC000916644995 1319690699 /nfs/dbraw/zinc/69/06/99/1319690699.db2.gz JPDGWMIUSUNXHK-UHFFFAOYSA-N 1 0 343.446 3.053 10 10 EGCERO Cc1cc(C(=O)N[C@@H]2CCC[N@@H+](C)C2)c(C)n1-c1cccc(C)c1 ZINC000918708044 1321981564 /nfs/dbraw/zinc/98/15/64/1321981564.db2.gz HNTWESSOHXYLTJ-QGZVFWFLSA-N 1 0 325.456 3.227 10 10 EGCERO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+]Cc1c2c(nn1C)CCC2 ZINC000922188336 1322475302 /nfs/dbraw/zinc/47/53/02/1322475302.db2.gz VXFUCXIRAJQMPG-OAHLLOKOSA-N 1 0 326.488 3.004 10 10 EGCERO COc1cc(C[NH2+]C[C@@]2(OC)CCSC2)c(O)c(C(C)(C)C)c1 ZINC000922571840 1322559906 /nfs/dbraw/zinc/55/99/06/1322559906.db2.gz YBQNSLLJOKWDAA-SFHVURJKSA-N 1 0 339.501 3.310 10 10 EGCERO CCN(CC)c1ccc(C[NH2+]CCc2ncc(C(=O)OC)s2)cc1 ZINC000922839644 1322630439 /nfs/dbraw/zinc/63/04/39/1322630439.db2.gz PPZALTVLEYHXCD-UHFFFAOYSA-N 1 0 347.484 3.108 10 10 EGCERO C[C@@H]([NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C(C)(C)CO ZINC000925163027 1325069679 /nfs/dbraw/zinc/06/96/79/1325069679.db2.gz YXXFJNYHACPRRC-ZIAGYGMSSA-N 1 0 342.430 3.253 10 10 EGCERO C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)S2(=O)=O)c1cc2c(cc1O)CCCC2 ZINC000927038142 1327827180 /nfs/dbraw/zinc/82/71/80/1327827180.db2.gz CKBICINXJHIDDS-FCLXEUQJSA-N 1 0 349.496 3.030 10 10 EGCERO CC1([NH+]2CCCC2)CCC(NC(=O)/C=C/c2ccc(O)c(O)c2)CC1 ZINC000928009652 1328170199 /nfs/dbraw/zinc/17/01/99/1328170199.db2.gz HFWDKNRWOKAMAT-FNORWQNLSA-N 1 0 344.455 3.024 10 10 EGCERO COC(=O)Cc1ccc(C[NH2+]Cc2cc(Cl)cc(C)c2O)cc1 ZINC000862447482 1329488449 /nfs/dbraw/zinc/48/84/49/1329488449.db2.gz NVVRJWRIGMLJGX-UHFFFAOYSA-N 1 0 333.815 3.359 10 10 EGCERO CCOC(=O)C1=CC[C@@H]([NH2+]Cc2ccc(N3CCCCC3)cc2)C1 ZINC000862487652 1329490987 /nfs/dbraw/zinc/49/09/87/1329490987.db2.gz SOSOZOYTRYFWLC-GOSISDBHSA-N 1 0 328.456 3.418 10 10 EGCERO CC(=O)c1cc(F)cc(CN2CCCc3cccc(C[NH3+])c32)c1O ZINC000863552593 1329562447 /nfs/dbraw/zinc/56/24/47/1329562447.db2.gz NVFXXMXUQJHQBQ-UHFFFAOYSA-N 1 0 328.387 3.145 10 10 EGCERO Cc1cc(O)c(CN2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c(Cl)c1 ZINC000863645728 1329570229 /nfs/dbraw/zinc/57/02/29/1329570229.db2.gz LZHOTLFEPNNHNN-JQWIXIFHSA-N 1 0 336.785 3.313 10 10 EGCERO c1cc(N2CCOCC2)ccc1C[NH2+]CC1([C@@H]2CCCCO2)CCC1 ZINC000865727023 1329733096 /nfs/dbraw/zinc/73/30/96/1329733096.db2.gz NBLHUNCZSOXDKK-FQEVSTJZSA-N 1 0 344.499 3.352 10 10 EGCERO CC[C@@H]([NH2+][C@H]1C[C@H](S(=O)(=O)c2ccccc2)C1)c1ccccc1O ZINC000866516640 1330120869 /nfs/dbraw/zinc/12/08/69/1330120869.db2.gz FSWZRVZDMOXAKZ-QGPMSJSTSA-N 1 0 345.464 3.438 10 10 EGCERO C[C@H]([NH2+]C[C@H]1CC2(CO1)CCOCC2)c1cc(Cl)ccc1O ZINC000866530679 1330122173 /nfs/dbraw/zinc/12/21/73/1330122173.db2.gz BHEKDSPEJZHDBO-GXTWGEPZSA-N 1 0 325.836 3.282 10 10 EGCERO COc1ccc(C[NH2+]C2(CNC(=O)C3(C)CC=CC3)CC2)cc1C ZINC001323530042 1387382995 /nfs/dbraw/zinc/38/29/95/1387382995.db2.gz IEWGCFYKGGFBOR-UHFFFAOYSA-N 1 0 328.456 3.098 10 10 EGCERO CC[C@@H]1CCC[C@H]1C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001134881620 1376765370 /nfs/dbraw/zinc/76/53/70/1376765370.db2.gz BGOPKDBTGCGSRF-ATZDWAIDSA-N 1 0 331.504 3.298 10 10 EGCERO COc1ccc(C[NH2+]C/C=C/CNC(=O)[C@@H]2C[C@@H]2C(C)C)cc1C ZINC001274470282 1378126204 /nfs/dbraw/zinc/12/62/04/1378126204.db2.gz ACTILYYLCNGIOG-PJHKVULZSA-N 1 0 330.472 3.058 10 10 EGCERO COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)Cc2cccs2)cc1C ZINC001283553965 1379015184 /nfs/dbraw/zinc/01/51/84/1379015184.db2.gz NFNLXAOVBQCUAI-OAHLLOKOSA-N 1 0 346.496 3.244 10 10 EGCERO CCOc1ccc(N2CC[NH+](C[C@H]3CCC(C)(C)CO3)CC2)cc1 ZINC001168332571 1383875384 /nfs/dbraw/zinc/87/53/84/1383875384.db2.gz ZLNJRYGHEMONCQ-LJQANCHMSA-N 1 0 332.488 3.413 10 10 EGCERO COc1ccc(N2CC[NH+](CCOCc3ccccc3)CC2)cc1F ZINC001307572829 1384004685 /nfs/dbraw/zinc/00/46/85/1384004685.db2.gz BHMFQCQQBUMCEM-UHFFFAOYSA-N 1 0 344.430 3.173 10 10 EGCERO Cc1cc(C[N@@H+]2CCNC(=O)CC2(C)C)ccc1N1CCCCC1 ZINC001308003249 1384072909 /nfs/dbraw/zinc/07/29/09/1384072909.db2.gz UJPBKLBWFLBNOI-UHFFFAOYSA-N 1 0 329.488 3.086 10 10 EGCERO CCCCCC[NH2+][C@H]1C[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001317093663 1384854918 /nfs/dbraw/zinc/85/49/18/1384854918.db2.gz RJLIIPBHLYLKNI-WKILWMFISA-N 1 0 345.447 3.280 10 10 EGCERO COc1ccc(C[NH2+][C@@H](CNC(=O)[C@H]2CC23CCC3)C(C)C)cc1C ZINC001319948159 1386412134 /nfs/dbraw/zinc/41/21/34/1386412134.db2.gz TYHZAVGVKTUWEJ-MSOLQXFVSA-N 1 0 344.499 3.424 10 10 EGCERO COc1ccc(C[NH2+]CC[C@H](C)NC(=O)c2coc(C)c2)cc1C ZINC001320396445 1386598986 /nfs/dbraw/zinc/59/89/86/1386598986.db2.gz MSQVLUFPOFMXAW-AWEZNQCLSA-N 1 0 330.428 3.203 10 10 EGCERO COc1ccc(C[NH2+]CCCN(C)C(=O)c2ccc(F)cc2)cc1C ZINC001322382858 1387175437 /nfs/dbraw/zinc/17/54/37/1387175437.db2.gz BZXCCVVEPONFMM-UHFFFAOYSA-N 1 0 344.430 3.395 10 10 EGCERO COc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)c2cccs2)cc1C ZINC001698813067 1406501128 /nfs/dbraw/zinc/50/11/28/1406501128.db2.gz ZZVLCQVJNUSOLI-CQSZACIVSA-N 1 0 332.469 3.315 10 10 EGCERO CN(C)c1ccc([C@@H](CNC(=O)N(C)C[C@H]2CC2(C)C)[NH+](C)C)cc1 ZINC001479532831 1392272603 /nfs/dbraw/zinc/27/26/03/1392272603.db2.gz DIUPIFGEAOKXJK-SJLPKXTDSA-N 1 0 346.519 3.043 10 10 EGCERO COc1ccc(C[NH2+][C@@H](CNC(=O)[C@@H]2C[C@H]2C2CC2)C2CC2)cc1C ZINC001480052556 1392552587 /nfs/dbraw/zinc/55/25/87/1392552587.db2.gz DKYUYDRMRHGWPG-OTWHNJEPSA-N 1 0 342.483 3.034 10 10 EGCERO COc1ccc(C[NH2+][C@H](CNC(=O)[C@@H]2C[C@H]2C2CC2)C2CC2)cc1C ZINC001480052553 1392552720 /nfs/dbraw/zinc/55/27/20/1392552720.db2.gz DKYUYDRMRHGWPG-IPMKNSEASA-N 1 0 342.483 3.034 10 10 EGCERO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)C(C)(C)C(F)F)C2)cc1C ZINC001480223075 1392626575 /nfs/dbraw/zinc/62/65/75/1392626575.db2.gz VCVWOSDONVCBHT-OKILXGFUSA-N 1 0 340.414 3.032 10 10 EGCERO COc1ccc(C[NH2+][C@@H](C)CCNC(=O)CCC(F)(F)F)cc1C ZINC001480755615 1392915506 /nfs/dbraw/zinc/91/55/06/1392915506.db2.gz WQQINVPIQKHMCT-ZDUSSCGKSA-N 1 0 346.393 3.331 10 10 EGCERO COc1ccc(C[NH2+]C[C@H]2CCC[C@@H]2NC(=O)CCCF)cc1C ZINC001732620142 1428882420 /nfs/dbraw/zinc/88/24/20/1428882420.db2.gz LWIDVOIBUDPQPL-SJORKVTESA-N 1 0 336.451 3.128 10 10 EGCERO COc1ccc(C[NH2+]CC[C@@H](C)NC(=O)/C=C(/C)C2CC2)cc1C ZINC001732676200 1428903228 /nfs/dbraw/zinc/90/32/28/1428903228.db2.gz GSVQTQQDZOHNHQ-OBEJXRGXSA-N 1 0 330.472 3.344 10 10 EGCERO COc1ccc(C[NH2+][C@H](C)CNC(=O)[C@@H]2C[C@H]2C(C)(C)C)cc1C ZINC001713323601 1417948251 /nfs/dbraw/zinc/94/82/51/1417948251.db2.gz MUSZPAXHGXYQKJ-DJIMGWMZSA-N 1 0 332.488 3.280 10 10 EGCERO CC(C)[N@H+](CCCNC(=O)c1ccc(N=NC(N)=O)cc1)CC1CC1 ZINC001713695274 1418449335 /nfs/dbraw/zinc/44/93/35/1418449335.db2.gz ORASHWFOQWXTMQ-UHFFFAOYSA-N 1 0 345.447 3.089 10 10 EGCERO COc1ccc(C[NH2+][C@@H](CNC(=O)[C@@H]2CC23CCC3)C2CC2)cc1C ZINC001713876436 1418672966 /nfs/dbraw/zinc/67/29/66/1418672966.db2.gz HOQJPRPVHLMYDN-ROUUACIJSA-N 1 0 342.483 3.178 10 10 EGCERO COc1ccc(C[NH2+]C[C@@H](NC(=O)[C@@H]2CCC2(C)C)C2CC2)cc1C ZINC001733179527 1429281302 /nfs/dbraw/zinc/28/13/02/1429281302.db2.gz JXLRJFOSCBFFLB-ZWKOTPCHSA-N 1 0 344.499 3.424 10 10 EGCERO COc1ccc(C[NH2+][C@@H](C)CNC(=O)[C@]2(C)CC=CCC2)cc1C ZINC001714238340 1419027952 /nfs/dbraw/zinc/02/79/52/1419027952.db2.gz PZTCZYWQAKJVEZ-OXJNMPFZSA-N 1 0 330.472 3.344 10 10 EGCERO COc1ccc(C[NH2+]CCN(C)C(=O)[C@@H]2CCCC2(C)C)cc1C ZINC001714743974 1419490842 /nfs/dbraw/zinc/49/08/42/1419490842.db2.gz CKAGJRLSFKOHAP-KRWDZBQOSA-N 1 0 332.488 3.378 10 10 EGCERO CCCc1occc1C(=O)N(C)CC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001714780042 1419505491 /nfs/dbraw/zinc/50/54/91/1419505491.db2.gz GLFHOTHPFYJYKS-UHFFFAOYSA-N 1 0 344.455 3.411 10 10 EGCERO CCN(CC[NH2+]Cc1ccc(OC)c(C)c1)C(=O)[C@@H]1CC[C@H](F)C1 ZINC001715752725 1420325911 /nfs/dbraw/zinc/32/59/11/1420325911.db2.gz SVRXLEYDHWBPIJ-SJORKVTESA-N 1 0 336.451 3.080 10 10 EGCERO COc1ccc(C[NH2+]C/C=C\CNC(=O)[C@@H]2CC23CCCC3)cc1C ZINC001715889462 1420384552 /nfs/dbraw/zinc/38/45/52/1420384552.db2.gz IBUCWTGOUQZWMH-XFHJGTJQSA-N 1 0 342.483 3.346 10 10 EGCERO CCc1occc1C(=O)N(CC)CC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001716214896 1420568785 /nfs/dbraw/zinc/56/87/85/1420568785.db2.gz LFWAMJQYRLPDNW-UHFFFAOYSA-N 1 0 344.455 3.411 10 10 EGCERO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)[C@H](C)CC(F)(F)F)cc1C ZINC001716405910 1420638389 /nfs/dbraw/zinc/63/83/89/1420638389.db2.gz ZEEIXLKNPMWGJI-CHWSQXEVSA-N 1 0 346.393 3.186 10 10 EGCERO COc1ccc(C[NH2+]CCCN(C)C(=O)[C@@H]2CC[C@H]3C[C@H]3C2)cc1C ZINC001716551784 1420758333 /nfs/dbraw/zinc/75/83/33/1420758333.db2.gz LULWMYGBLTZNQC-OTWHNJEPSA-N 1 0 344.499 3.378 10 10 EGCERO COc1ccc(C[NH2+]CCCN(C)C(=O)[C@@H](C)C(F)(F)F)cc1C ZINC001716560177 1420760630 /nfs/dbraw/zinc/76/06/30/1420760630.db2.gz JLRADHLBDBJBAQ-CYBMUJFWSA-N 1 0 346.393 3.140 10 10 EGCERO C[C@@H]([NH2+]CCC(C)(C)C)[C@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001717440644 1421369741 /nfs/dbraw/zinc/36/97/41/1421369741.db2.gz DRFCBKNFHHGRNT-OLZOCXBDSA-N 1 0 347.463 3.382 10 10 EGCERO CCC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001722958241 1424280279 /nfs/dbraw/zinc/28/02/79/1424280279.db2.gz WJPYSMLWMWRWHB-GDBMZVCRSA-N 1 0 345.447 3.137 10 10 EGCERO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)CCCF)[C@H](C)C2)cc1C ZINC001723856567 1424586550 /nfs/dbraw/zinc/58/65/50/1424586550.db2.gz APPKLIMONAFDFC-NVXWUHKLSA-N 1 0 336.451 3.222 10 10 EGCERO COc1ccc(C[NH2+]CCN(Cc2ccccc2)C(C)=O)cc1C ZINC001724615130 1424961845 /nfs/dbraw/zinc/96/18/45/1424961845.db2.gz LINKYAVOTCGMGE-UHFFFAOYSA-N 1 0 326.440 3.142 10 10 EGCERO COc1ccc(C[NH2+][C@H](C)CNC(=O)c2cc(C)cc(F)c2)cc1C ZINC001731620696 1427670664 /nfs/dbraw/zinc/67/06/64/1427670664.db2.gz NGMGELDTRZICDZ-OAHLLOKOSA-N 1 0 344.430 3.359 10 10 EGCERO COc1ccc(C[NH2+][C@@H](C)CNC(=O)c2c(F)cccc2F)cc1C ZINC001731635811 1427690726 /nfs/dbraw/zinc/69/07/26/1427690726.db2.gz YJBMONADBBYRNV-ZDUSSCGKSA-N 1 0 348.393 3.190 10 10 EGCERO COc1ccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)c2cocc2C)cc1C ZINC001733991417 1437786519 /nfs/dbraw/zinc/78/65/19/1437786519.db2.gz GBZBHYXQIFOBDL-LSDHHAIUSA-N 1 0 330.428 3.202 10 10 EGCERO C=C/C(C)=C\CC(=O)N(C)C[C@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001734338128 1438059386 /nfs/dbraw/zinc/05/93/86/1438059386.db2.gz GQNNJKXJXGORDS-KCPLEYNQSA-N 1 0 330.472 3.463 10 10 EGCERO [NH3+]CCN1C(=O)/C(=C/c2ccc(Cl)c(Cl)c2)SC1=S ZINC000003309642 210003629 /nfs/dbraw/zinc/00/36/29/210003629.db2.gz NZAKVZYHPOTPFW-POHAHGRESA-N 1 0 333.265 3.153 10 10 EGCERO Cc1cc(C(=O)N2CCC[N@@H+](C3CC3)CC2)c(C)n1-c1ccccc1 ZINC000061605833 454349296 /nfs/dbraw/zinc/34/92/96/454349296.db2.gz AAPXVKOXPHSPER-UHFFFAOYSA-N 1 0 337.467 3.404 10 10 EGCERO c1ccc(N[C@H]2CC[N@@H+](Cc3ccc(N4CCOCC4)cc3)C2)cc1 ZINC000092757908 454626135 /nfs/dbraw/zinc/62/61/35/454626135.db2.gz UBPPCZRQSZEKBX-FQEVSTJZSA-N 1 0 337.467 3.210 10 10 EGCERO CCOc1cccc(C[N@@H+]2CC[C@H](CNc3cccc(C)n3)C2)c1O ZINC000092813179 454640184 /nfs/dbraw/zinc/64/01/84/454640184.db2.gz LJJUNKRFDNWDIF-MRXNPFEDSA-N 1 0 341.455 3.428 10 10 EGCERO CN1C(=O)C[C@@H]([NH2+]Cc2ccccc2O)[C@@H]1c1ccc(Cl)cc1 ZINC000125254331 454807986 /nfs/dbraw/zinc/80/79/86/454807986.db2.gz CQIASLWFZPWTKI-QAPCUYQASA-N 1 0 330.815 3.107 10 10 EGCERO CN(C)c1ccc(C[NH+]2CCC(C(=O)N3CCCCCC3)CC2)cc1 ZINC000179752222 455073037 /nfs/dbraw/zinc/07/30/37/455073037.db2.gz IBVSFJZNSJEOJS-UHFFFAOYSA-N 1 0 343.515 3.367 10 10 EGCERO Cc1cc(NC(=O)C2CC[NH+](Cc3cc(Cl)ccc3O)CC2)no1 ZINC000179856028 455089154 /nfs/dbraw/zinc/08/91/54/455089154.db2.gz FNVBDTDEUFGKPX-UHFFFAOYSA-N 1 0 349.818 3.193 10 10 EGCERO CN(CC(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](Cc2ccccc2O)CC1 ZINC000190851505 455391965 /nfs/dbraw/zinc/39/19/65/455391965.db2.gz PYTJDBCPNFGIEG-QGZVFWFLSA-N 1 0 348.487 3.020 10 10 EGCERO COc1cc(O)c(C[N@@H+]2C[C@H](c3ccccc3)OC[C@@H]2C)cc1OC ZINC000160117953 455430356 /nfs/dbraw/zinc/43/03/56/455430356.db2.gz LAVQXAUBGOGVMS-VBKZILBWSA-N 1 0 343.423 3.371 10 10 EGCERO C[C@@H]([NH2+]Cc1cccnc1-n1cncn1)c1cc2c(cc1O)CCCC2 ZINC000185025626 455487373 /nfs/dbraw/zinc/48/73/73/455487373.db2.gz XRHPGPQVCQSRMD-CQSZACIVSA-N 1 0 349.438 3.098 10 10 EGCERO COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCCn3nc(C(C)C)nc32)c1 ZINC000185684067 455595329 /nfs/dbraw/zinc/59/53/29/455595329.db2.gz JPVINRKVQPKXTB-IUODEOHRSA-N 1 0 330.432 3.301 10 10 EGCERO CCc1cc(N2CCC[C@@H]([NH2+][C@H](C)c3cc(C)ccc3O)C2)ncn1 ZINC000248486729 455716844 /nfs/dbraw/zinc/71/68/44/455716844.db2.gz FTIIVIMCWHLEBX-NVXWUHKLSA-N 1 0 340.471 3.373 10 10 EGCERO O=C(c1ccccc1)N1CCC([NH2+][C@@H]2CCc3cccc(O)c32)CC1 ZINC000296214856 455882078 /nfs/dbraw/zinc/88/20/78/455882078.db2.gz ZPRPQPSESBBEIH-GOSISDBHSA-N 1 0 336.435 3.274 10 10 EGCERO COc1ccc(O)c(C[NH2+]CC2CCN(c3ccccc3)CC2)c1 ZINC000280499013 455984297 /nfs/dbraw/zinc/98/42/97/455984297.db2.gz FYBNMNLMPUNZFB-UHFFFAOYSA-N 1 0 326.440 3.407 10 10 EGCERO CN(C)C(=O)C1CC[NH+](Cc2cc(-c3ccccc3)ccc2O)CC1 ZINC000271031203 456103782 /nfs/dbraw/zinc/10/37/82/456103782.db2.gz HPQWZDCNMVNIFK-UHFFFAOYSA-N 1 0 338.451 3.359 10 10 EGCERO CCOc1ccc(O)c(C[N@@H+]2CCC[C@](O)(C(F)(F)F)CC2)c1 ZINC000289247972 456119471 /nfs/dbraw/zinc/11/94/71/456119471.db2.gz FBENZDLMSMUJQR-OAHLLOKOSA-N 1 0 333.350 3.070 10 10 EGCERO COc1cc(O)c(C[NH2+]C2(c3nc(C)cs3)CCC2)cc1OC ZINC000271090790 456123615 /nfs/dbraw/zinc/12/36/15/456123615.db2.gz KZETVNOUDYORQE-UHFFFAOYSA-N 1 0 334.441 3.343 10 10 EGCERO Cc1cccc2c1OCC[C@@H]2[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000188952580 456180469 /nfs/dbraw/zinc/18/04/69/456180469.db2.gz RFAFNGDTRRXACU-FQEVSTJZSA-N 1 0 338.451 3.445 10 10 EGCERO Cc1ccc([C@H](C)[NH2+][C@H]2CCCN(c3ncccn3)C2)c(O)c1C ZINC000273433897 456230574 /nfs/dbraw/zinc/23/05/74/456230574.db2.gz WKCAJHTYVNHWJN-HOTGVXAUSA-N 1 0 326.444 3.119 10 10 EGCERO COc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCOC3(CCSCC3)C2)c1 ZINC000273493096 456234302 /nfs/dbraw/zinc/23/43/02/456234302.db2.gz OREVLFXUHVXSOL-KGLIPLIRSA-N 1 0 337.485 3.496 10 10 EGCERO C[C@H]([NH2+][C@@H]1CCC(=O)NC12CCC2)c1cc2c(cc1O)CCCC2 ZINC000282968500 456677481 /nfs/dbraw/zinc/67/74/81/456677481.db2.gz CZKIZTIYJIWURX-SCLBCKFNSA-N 1 0 328.456 3.123 10 10 EGCERO COc1cc(O)c(C[NH2+][C@@H](c2ccccc2)[C@@H]2CCOC2)cc1OC ZINC000362040594 458020682 /nfs/dbraw/zinc/02/06/82/458020682.db2.gz PZVPZDYRUPZGSQ-QRWLVFNGSA-N 1 0 343.423 3.277 10 10 EGCERO Oc1ccc(Br)cc1C[NH+]1CCC(c2c[nH]cn2)CC1 ZINC000376493815 458317497 /nfs/dbraw/zinc/31/74/97/458317497.db2.gz XJQWALGGHVUSKN-UHFFFAOYSA-N 1 0 336.233 3.257 10 10 EGCERO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CC3(CC3)C2)C1 ZINC000452270500 458497888 /nfs/dbraw/zinc/49/78/88/458497888.db2.gz BVHQWGOULYVXNO-UHFFFAOYSA-N 1 0 337.467 3.030 10 10 EGCERO CC[C@H]1C[N@H+](Cc2cc(Cl)cc(C)c2O)C[C@]2(CCOC2)O1 ZINC000373484803 458506693 /nfs/dbraw/zinc/50/66/93/458506693.db2.gz YDOYLCVEKJNDPN-RDJZCZTQSA-N 1 0 325.836 3.124 10 10 EGCERO Cc1noc(C)c1CO[C@H]1CC[N@@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000365838004 547778474 /nfs/dbraw/zinc/77/84/74/547778474.db2.gz MTNMOJGSKMIVHL-SFHVURJKSA-N 1 0 329.444 3.149 10 10 EGCERO Cc1cc(CCNC(=O)[C@@H]2CCCC[N@H+]2C)c(C)n1-c1ccccc1 ZINC000737780057 574688314 /nfs/dbraw/zinc/68/83/14/574688314.db2.gz PNPCGFBENFYPFN-FQEVSTJZSA-N 1 0 339.483 3.237 10 10 EGCERO C[N@@H+](Cc1ccccc1O)C[C@H](O)Cc1ccccc1C(F)(F)F ZINC000157249991 1294172869 /nfs/dbraw/zinc/17/28/69/1294172869.db2.gz FHQMAVUHPBBZSE-OAHLLOKOSA-N 1 0 339.357 3.446 10 10 EGCERO Oc1ccccc1C[NH+]1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000179553332 1294804914 /nfs/dbraw/zinc/80/49/14/1294804914.db2.gz DQLRXCIOVSPYQM-UHFFFAOYSA-N 1 0 337.345 3.128 10 10 EGCERO CCOc1ccc(O)c(C[NH2+]C[C@H]2COC3(CCCCCC3)O2)c1 ZINC000181098286 1294935776 /nfs/dbraw/zinc/93/57/76/1294935776.db2.gz HIDCURCYPLHNBW-KRWDZBQOSA-N 1 0 335.444 3.346 10 10 EGCERO Cc1cc([C@H]([NH3+])CC(=O)N[C@@H](C)c2ccccc2O)cc(Cl)n1 ZINC000870988223 1296165856 /nfs/dbraw/zinc/16/58/56/1296165856.db2.gz JFEXPLCSWUUMRR-SMDDNHRTSA-N 1 0 333.819 3.016 10 10 EGCERO COc1ccc(C[NH2+][C@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1C ZINC000237179421 1296225901 /nfs/dbraw/zinc/22/59/01/1296225901.db2.gz QIWHAQOTWICJPV-INIZCTEOSA-N 1 0 334.460 3.493 10 10 EGCERO C[C@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)c1cc(Br)c(F)cc1[O-] ZINC000925882524 1325341532 /nfs/dbraw/zinc/34/15/32/1325341532.db2.gz OEFXXSOGIRGAOJ-AEJSXWLSSA-N 1 0 331.229 3.072 10 10 EGCERO CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[NH2+][C@@H](C)c2ccccc2O)c1C ZINC000879651478 1300651744 /nfs/dbraw/zinc/65/17/44/1300651744.db2.gz XMJLZXZOCHNQED-WCQYABFASA-N 1 0 328.412 3.462 10 10 EGCERO COC(=O)c1c(C[NH2+]CC[C@H]2CCCCO2)c2cc(F)ccc2n1C ZINC000894433659 1308880464 /nfs/dbraw/zinc/88/04/64/1308880464.db2.gz WZPGPKOFIMEYRE-CQSZACIVSA-N 1 0 348.418 3.153 10 10 EGCERO COC(=O)c1c(C[NH2+][C@H]2CCS[C@@H]2C)c2cc(F)ccc2n1C ZINC000895087675 1309186900 /nfs/dbraw/zinc/18/69/00/1309186900.db2.gz FOBWLFUOKQCWIT-YGRLFVJLSA-N 1 0 336.432 3.088 10 10 EGCERO COC(=O)c1c(C[NH2+]CCc2ccoc2)c2cc(F)ccc2n1C ZINC000895273558 1309266791 /nfs/dbraw/zinc/26/67/91/1309266791.db2.gz YIDFSVANZJGFAQ-UHFFFAOYSA-N 1 0 330.359 3.029 10 10 EGCERO CCC[N@H+](C)CC(C)(C)NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000898985735 1310898577 /nfs/dbraw/zinc/89/85/77/1310898577.db2.gz AGTZCVPDWJOBGW-UHFFFAOYSA-N 1 0 336.457 3.163 10 10 EGCERO COc1ccc(N2CC[C@H]([NH2+][C@@H]3CCCc4scnc43)C2)cc1 ZINC000858431579 1328760676 /nfs/dbraw/zinc/76/06/76/1328760676.db2.gz ZCYJCEJMSBDOKS-XJKSGUPXSA-N 1 0 329.469 3.398 10 10 EGCERO C[C@@H]([NH2+]C[C@H]1C[C@@H](C)O[C@@H](C)C1)c1ccc(N2CCOCC2)cc1 ZINC000930211268 1328813372 /nfs/dbraw/zinc/81/33/72/1328813372.db2.gz SESOEUDZYZRYLL-XDNAFOTISA-N 1 0 332.488 3.377 10 10 EGCERO CC[N@@H+]1CCC[C@H](NC(=O)c2sccc2-n2c(C)ccc2C)C1 ZINC000918396613 1319950366 /nfs/dbraw/zinc/95/03/66/1319950366.db2.gz UWGVZSKEFVKLDC-HNNXBMFYSA-N 1 0 331.485 3.370 10 10 EGCERO COC(=O)c1cc2ccccc2c(C[N@H+](C)C[C@H]2CCCCO2)c1O ZINC000918736902 1321988693 /nfs/dbraw/zinc/98/86/93/1321988693.db2.gz XSAVLUKUZCMVSI-OAHLLOKOSA-N 1 0 343.423 3.333 10 10 EGCERO CCc1onc(C)c1C[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000922983587 1322669237 /nfs/dbraw/zinc/66/92/37/1322669237.db2.gz LZDMFDHKWZREIJ-UHFFFAOYSA-N 1 0 329.444 3.313 10 10 EGCERO OCC1CCN(c2ccc(C[NH2+]C3C[C@H]4CC[C@@H](C3)S4)cc2)CC1 ZINC000924762241 1323149166 /nfs/dbraw/zinc/14/91/66/1323149166.db2.gz YYXBAECTBVKTPY-CTXDPNEZSA-N 1 0 346.540 3.412 10 10 EGCERO COc1ccc(N2CC[C@H]([NH2+][C@H](C3CCC3)[C@H]3CCOC3)C2)cc1 ZINC000926680240 1327663437 /nfs/dbraw/zinc/66/34/37/1327663437.db2.gz LCUBMPSIIWDILJ-ABSDTBQOSA-N 1 0 330.472 3.069 10 10 EGCERO CC(C)(C)OC(=O)N1CC(F)(F)C[C@@H]1C[NH2+]Cc1ccccc1O ZINC000862274514 1329472889 /nfs/dbraw/zinc/47/28/89/1329472889.db2.gz QAGOZFZJKPIXJI-CYBMUJFWSA-N 1 0 342.386 3.127 10 10 EGCERO C[C@H](NC(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1)c1ccccc1O ZINC000864423988 1329613461 /nfs/dbraw/zinc/61/34/61/1329613461.db2.gz RIACYDQEFVTUCK-HOCLYGCPSA-N 1 0 343.427 3.183 10 10 EGCERO C[C@@H]1C[C@@H]([NH2+]CCOCC(=O)OC(C)(C)C)c2c1c(F)ccc2O ZINC000866437413 1330112526 /nfs/dbraw/zinc/11/25/26/1330112526.db2.gz GQXAXDWUCMYYTR-DGCLKSJQSA-N 1 0 339.407 3.028 10 10 EGCERO CCOC(=O)c1cc(C[NH2+][C@H](C)c2cc3c(cc2O)CCCC3)on1 ZINC000866514788 1330120591 /nfs/dbraw/zinc/12/05/91/1330120591.db2.gz RQRHBHNTTJNALA-GFCCVEGCSA-N 1 0 344.411 3.287 10 10 EGCERO C[C@H]([NH2+][C@H]1C[C@H](S(=O)(=O)c2ccccc2)C1)c1ccccc1O ZINC000866518362 1330121227 /nfs/dbraw/zinc/12/12/27/1330121227.db2.gz YHBUTQWBIDSVJO-DZKIICNBSA-N 1 0 331.437 3.048 10 10 EGCERO Cc1ccc([C@H](C)[NH2+]C2CCN(CC(=O)OC(C)(C)C)CC2)c(O)c1 ZINC000866527044 1330121695 /nfs/dbraw/zinc/12/16/95/1330121695.db2.gz SYNZVPXFTPKYRU-HNNXBMFYSA-N 1 0 348.487 3.157 10 10 EGCERO C[C@@H]([NH2+][C@H](C)c1ccc(N2CCOCC2)cc1Cl)c1ccnn1C ZINC000866612769 1330132976 /nfs/dbraw/zinc/13/29/76/1330132976.db2.gz NXNAFJCAYBFCDE-ZIAGYGMSSA-N 1 0 348.878 3.322 10 10 EGCERO COc1ccc(O)c([C@@H](C)NC(=O)NC2CCC(C)([NH+](C)C)CC2)c1 ZINC000869008665 1330395230 /nfs/dbraw/zinc/39/52/30/1330395230.db2.gz SJYNLMGZTIIQMN-VFPJAPOESA-N 1 0 349.475 3.024 10 10 EGCERO c1ccc(CN2CCc3cc(C[NH2+]CCCN4CCC4)ccc32)cc1 ZINC001201833105 1369631021 /nfs/dbraw/zinc/63/10/21/1369631021.db2.gz KXAKBSMVVQHWON-UHFFFAOYSA-N 1 0 335.495 3.435 10 10 EGCERO CN1CCN(c2ccc(C[NH2+]CC[C@@]3(C)CC3(F)F)cc2F)CC1 ZINC001118423260 1371179956 /nfs/dbraw/zinc/17/99/56/1371179956.db2.gz GXFOWCCUYCTRQU-KRWDZBQOSA-N 1 0 341.421 3.103 10 10 EGCERO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]Cc1ccnc(-n2cncn2)c1 ZINC001118933863 1371253053 /nfs/dbraw/zinc/25/30/53/1371253053.db2.gz UZNJFLLPNIYDGO-UKRRQHHQSA-N 1 0 335.411 3.014 10 10 EGCERO COc1ccc(C[NH2+][C@@H](C)CCNC(=O)c2cccs2)cc1C ZINC001266125182 1377199024 /nfs/dbraw/zinc/19/90/24/1377199024.db2.gz VUAVEHYCSFULBI-AWEZNQCLSA-N 1 0 332.469 3.363 10 10 EGCERO CCC[NH+](CCC)CCCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001136619748 1377409983 /nfs/dbraw/zinc/40/99/83/1377409983.db2.gz KYGOQHGJIJIPOT-UHFFFAOYSA-N 1 0 333.436 3.091 10 10 EGCERO CC(C)[C@@H](C(=O)NCc1c(O)ccc2c1CCCC2)[NH+]1CCCCC1 ZINC001137443246 1377548648 /nfs/dbraw/zinc/54/86/48/1377548648.db2.gz ICNTZKBQXDQEHW-FQEVSTJZSA-N 1 0 344.499 3.398 10 10 EGCERO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CC[C@H]2C[C@@H](C)C[N@@H+]2C1 ZINC001142417314 1378441628 /nfs/dbraw/zinc/44/16/28/1378441628.db2.gz QEZICWYLMLQMPF-POAQFYNOSA-N 1 0 343.515 3.222 10 10 EGCERO COc1cc(Br)cc(C[NH2+]C2CC3(CC3(F)F)C2)c1O ZINC001327845646 1388604855 /nfs/dbraw/zinc/60/48/55/1388604855.db2.gz RSKRLUCNWWCGIH-UHFFFAOYSA-N 1 0 348.187 3.441 10 10 EGCERO CC[NH+](CC)[C@@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)CC(C)C ZINC001292955166 1382237470 /nfs/dbraw/zinc/23/74/70/1382237470.db2.gz HEVLOGIJCAMNSB-MRXNPFEDSA-N 1 0 347.463 3.335 10 10 EGCERO COc1ccc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@]3(C)C=CCC3)C2)cc1C ZINC001316621610 1384487104 /nfs/dbraw/zinc/48/71/04/1384487104.db2.gz RALNSTBQLYPHFT-LVCYWYKZSA-N 1 0 342.483 3.344 10 10 EGCERO COc1ccc(C[NH2+][C@H](C)CNC(=O)c2cc(C)ccc2F)cc1C ZINC001317268492 1385038511 /nfs/dbraw/zinc/03/85/11/1385038511.db2.gz BQDWNZTVZQBJHR-OAHLLOKOSA-N 1 0 344.430 3.359 10 10 EGCERO Cc1cc(C(=O)N[C@@]23CC[N@H+](C2)CCC3)c(C)n1-c1ccc(F)cc1 ZINC001175056424 1385187184 /nfs/dbraw/zinc/18/71/84/1385187184.db2.gz YLRHPIAASCGNSR-FQEVSTJZSA-N 1 0 341.430 3.201 10 10 EGCERO CC(=O)c1cc(F)cc(C[N@H+](C)CCCC[NH+]2CCCCC2)c1[O-] ZINC001175686119 1385373977 /nfs/dbraw/zinc/37/39/77/1385373977.db2.gz ADHFMOYEDKLVEF-UHFFFAOYSA-N 1 0 336.451 3.432 10 10 EGCERO CN(C)c1ccc(CN2CC[NH+](CCCOC(C)(C)C)CC2)cc1 ZINC001175733386 1385388734 /nfs/dbraw/zinc/38/87/34/1385388734.db2.gz NKWVAUCNEGKXAV-UHFFFAOYSA-N 1 0 333.520 3.075 10 10 EGCERO CC[C@H](CNC(=O)[C@@H]1CCC1(C)C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001318560686 1385756834 /nfs/dbraw/zinc/75/68/34/1385756834.db2.gz CAUNPLFWQCIGIK-SJORKVTESA-N 1 0 332.488 3.424 10 10 EGCERO COc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H](C)c2ccco2)cc1C ZINC001319527577 1386162400 /nfs/dbraw/zinc/16/24/00/1386162400.db2.gz IXSBXFWFIMIBJO-CVEARBPZSA-N 1 0 344.455 3.337 10 10 EGCERO COc1ccc(C[NH2+]C[C@](C)(NC(=O)CC(C)C)C2CC2)cc1C ZINC001698637554 1406284196 /nfs/dbraw/zinc/28/41/96/1406284196.db2.gz CMEILPOMQRZUOB-FQEVSTJZSA-N 1 0 332.488 3.424 10 10 EGCERO Cc1noc([C@H]2OCC[C@H]2[NH2+][C@@H]2C[C@@H](C)c3c2c(O)ccc3C)n1 ZINC001329191725 1389014831 /nfs/dbraw/zinc/01/48/31/1389014831.db2.gz PGKCFPAFMRUMAI-MDCUPZMDSA-N 1 0 329.400 3.060 10 10 EGCERO CN(C)c1cc(F)c(C[NH2+]CCc2cnc(C3CC3)nc2)cc1F ZINC001329722006 1389209463 /nfs/dbraw/zinc/20/94/63/1389209463.db2.gz IZXWIKJQUSEPME-UHFFFAOYSA-N 1 0 332.398 3.031 10 10 EGCERO COc1cc(Br)cc(C[NH2+][C@H]2C[C@@H]3[C@H](C2)C3(F)F)c1O ZINC001330767550 1389521821 /nfs/dbraw/zinc/52/18/21/1389521821.db2.gz STGGRPAWFZQSOC-JGPRNRPPSA-N 1 0 348.187 3.297 10 10 EGCERO COc1ccc(C[NH2+]C[C@@H](C2CC2)N(C)C(=O)CC(C)C)cc1C ZINC001331251191 1389667721 /nfs/dbraw/zinc/66/77/21/1389667721.db2.gz ABDLKPUXLMQHTN-SFHVURJKSA-N 1 0 332.488 3.376 10 10 EGCERO COc1ccc(C[NH2+]C[C@H](C)CNC(=O)C2(C)CCCC2)cc1C ZINC001698766400 1406423272 /nfs/dbraw/zinc/42/32/72/1406423272.db2.gz XFHYWTXASYWAHB-HNNXBMFYSA-N 1 0 332.488 3.426 10 10 EGCERO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]CCN1C[C@@H]2CCCCN2C1=O ZINC001333327621 1390284638 /nfs/dbraw/zinc/28/46/38/1390284638.db2.gz NYWBJRDCYMJBAL-PMPSAXMXSA-N 1 0 343.471 3.129 10 10 EGCERO CCCN(Cc1ccccc1O)C(=O)NCC[N@@H+]1CCC(C)(C)C1 ZINC001479554685 1392274147 /nfs/dbraw/zinc/27/41/47/1392274147.db2.gz OXAABNBGPPGRFV-UHFFFAOYSA-N 1 0 333.476 3.046 10 10 EGCERO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)/C=C/c3ccco3)C2)cc1C ZINC001480124623 1392595685 /nfs/dbraw/zinc/59/56/85/1392595685.db2.gz LKMSWABUJHPFOD-GUFQSERGSA-N 1 0 340.423 3.047 10 10 EGCERO COc1ccc(C[NH2+][C@H](C)CCNC(=O)CCC(F)(F)F)cc1C ZINC001480755614 1392915472 /nfs/dbraw/zinc/91/54/72/1392915472.db2.gz WQQINVPIQKHMCT-CYBMUJFWSA-N 1 0 346.393 3.331 10 10 EGCERO COc1ccc(C[NH2+]CCN(C)C(=O)[C@H](C)c2ccc(C)o2)cc1C ZINC001481289037 1393159013 /nfs/dbraw/zinc/15/90/13/1393159013.db2.gz BCJRHPKHWULVMT-MRXNPFEDSA-N 1 0 344.455 3.257 10 10 EGCERO CN(CC[N@H+](C)CCC(C)(C)C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001699010808 1406840560 /nfs/dbraw/zinc/84/05/60/1406840560.db2.gz GTVHLCQQLOPYMC-UHFFFAOYSA-N 1 0 347.463 3.289 10 10 EGCERO COc1ccc(C[NH2+]CCN(C)C(=O)[C@]2(C)CC=CCC2)cc1C ZINC001691331101 1405206187 /nfs/dbraw/zinc/20/61/87/1405206187.db2.gz RDCAOFLAXPCXPC-HXUWFJFHSA-N 1 0 330.472 3.298 10 10 EGCERO CC[C@@H](CNC(=O)CCC(F)(F)F)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001698593282 1406216057 /nfs/dbraw/zinc/21/60/57/1406216057.db2.gz GMNIBHPZLGPHLS-AWEZNQCLSA-N 1 0 346.393 3.331 10 10 EGCERO COc1ccc(C[NH2+]C[C@H](C)CNC(=O)C(C)(C)C2CC2)cc1C ZINC001732357410 1428546712 /nfs/dbraw/zinc/54/67/12/1428546712.db2.gz UFVPXNULRQHBSZ-AWEZNQCLSA-N 1 0 332.488 3.282 10 10 EGCERO COc1ccc(C[NH2+]C[C@H](C)NC(=O)C(C)=C2CCCC2)cc1C ZINC001699398976 1412713384 /nfs/dbraw/zinc/71/33/84/1412713384.db2.gz JREPIJDZCNRPFG-HNNXBMFYSA-N 1 0 330.472 3.488 10 10 EGCERO CCn1ccc(C(=O)N[C@@H](C)C[NH2+]Cc2ccc(OC)c(C)c2)c1C ZINC001699416845 1412730594 /nfs/dbraw/zinc/73/05/94/1412730594.db2.gz NSGLJWPKLGNCJZ-HNNXBMFYSA-N 1 0 343.471 3.042 10 10 EGCERO COc1ccc(C[NH2+]C[C@H](NC(=O)[C@@H]2C[C@H]2C)C2CCCC2)cc1C ZINC001699794986 1413203124 /nfs/dbraw/zinc/20/31/24/1413203124.db2.gz DTZUUDGTTOEPQG-ZMYBRWDISA-N 1 0 344.499 3.424 10 10 EGCERO COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)c2ccccc2F)cc1C ZINC001700739520 1414405665 /nfs/dbraw/zinc/40/56/65/1414405665.db2.gz NJDNGBRRGNODJC-HNNXBMFYSA-N 1 0 344.430 3.393 10 10 EGCERO COc1ccc(C[NH2+]C[C@H](C)NC(=O)CC2CC(F)(F)C2)cc1C ZINC001733002510 1429123470 /nfs/dbraw/zinc/12/34/70/1429123470.db2.gz SLUADCDOWKVDHM-ZDUSSCGKSA-N 1 0 340.414 3.033 10 10 EGCERO COc1ccc(C[NH2+][C@H](CNC(=O)[C@H]2CC23CCC3)C2CC2)cc1C ZINC001713876435 1418672720 /nfs/dbraw/zinc/67/27/20/1418672720.db2.gz HOQJPRPVHLMYDN-QZTJIDSGSA-N 1 0 342.483 3.178 10 10 EGCERO COc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)Cc2ccccc2)cc1C ZINC001714667266 1419455939 /nfs/dbraw/zinc/45/59/39/1419455939.db2.gz BQCCJSRUTYFSGL-KRWDZBQOSA-N 1 0 340.467 3.183 10 10 EGCERO COc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)C2(C3CC3)CC2)cc1C ZINC001715335870 1420040212 /nfs/dbraw/zinc/04/02/12/1420040212.db2.gz FLBFBEXVRVKTBC-OAHLLOKOSA-N 1 0 330.472 3.130 10 10 EGCERO COc1ccc(C[NH2+]C/C=C/CNC(=O)[C@@H]2CC23CCCC3)cc1C ZINC001715889461 1420384414 /nfs/dbraw/zinc/38/44/14/1420384414.db2.gz IBUCWTGOUQZWMH-QWNKOJSDSA-N 1 0 342.483 3.346 10 10 EGCERO CCCCC[N@@H+]1CC[C@@](C)(NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001716853665 1420984816 /nfs/dbraw/zinc/98/48/16/1420984816.db2.gz GCNISJZOYWLRPR-GOSISDBHSA-N 1 0 345.447 3.233 10 10 EGCERO COc1ccc(C[NH2+]CCCN(C)C(=O)[C@H]2CC[C@H](C)C2)cc1C ZINC001723142546 1424307580 /nfs/dbraw/zinc/30/75/80/1424307580.db2.gz QLTDXDFGLOLXPR-YJBOKZPZSA-N 1 0 332.488 3.378 10 10 EGCERO COc1ccc(C[NH2+]CCCN(C)C(=O)[C@H]2CC[C@@H](C)C2)cc1C ZINC001723142545 1424307690 /nfs/dbraw/zinc/30/76/90/1424307690.db2.gz QLTDXDFGLOLXPR-QAPCUYQASA-N 1 0 332.488 3.378 10 10 EGCERO COc1ccc(C[NH2+][C@H](C)CNC(=O)CCc2ccccc2)cc1C ZINC001731630574 1427682503 /nfs/dbraw/zinc/68/25/03/1427682503.db2.gz HHGMEOPUQKIZSN-QGZVFWFLSA-N 1 0 340.467 3.231 10 10 EGCERO CC[C@@H](F)C(=O)N(C)[C@H](C[NH2+]Cc1ccc(OC)c(C)c1)C1CC1 ZINC001734302328 1438033972 /nfs/dbraw/zinc/03/39/72/1438033972.db2.gz GRBRYQVMWLCVGK-IAGOWNOFSA-N 1 0 336.451 3.078 10 10 EGCERO COc1ccc(C[C@](C)(CO)[NH2+]Cc2ccc(OC)c(C)c2)cc1 ZINC001656289196 1126256769 /nfs/dbraw/zinc/25/67/69/1126256769.db2.gz NFKQKOJOOYTLNB-HXUWFJFHSA-N 1 0 329.440 3.096 10 10 EGCERO CN(C)c1ccc([C@@H](CNC(=O)c2ccccc2)[NH+]2CCCC2)cc1 ZINC000005098044 210390154 /nfs/dbraw/zinc/39/01/54/210390154.db2.gz MBUOLUZPGASNSV-HXUWFJFHSA-N 1 0 337.467 3.320 10 10 EGCERO CN(C)c1ccc([C@@H](CNC(=O)c2cccc(Cl)c2)[NH+](C)C)cc1 ZINC000005097751 210389699 /nfs/dbraw/zinc/38/96/99/210389699.db2.gz QKRXDVYJZMDPQW-GOSISDBHSA-N 1 0 345.874 3.439 10 10 EGCERO CCOc1cccc(C[NH2+]C[C@]2(C)COc3ccccc3O2)c1O ZINC000527736592 312927936 /nfs/dbraw/zinc/92/79/36/312927936.db2.gz STDYGXPGIXLOKM-LJQANCHMSA-N 1 0 329.396 3.111 10 10 EGCERO CC(=O)Nc1cc(C[NH+]2CCCCC2)c([O-])c(C[NH+]2CCCCC2)c1 ZINC000071974091 454264220 /nfs/dbraw/zinc/26/42/20/454264220.db2.gz AVPLCNNLKMYJHF-UHFFFAOYSA-N 1 0 345.487 3.322 10 10 EGCERO COc1cccc(C[NH+]2CCC(C(=O)N3CCCCCC3)CC2)c1O ZINC000121043312 454382881 /nfs/dbraw/zinc/38/28/81/454382881.db2.gz SAILAUFTCRXWEO-UHFFFAOYSA-N 1 0 346.471 3.015 10 10 EGCERO COc1ccc(NC(=O)[C@H]2CCC[N@@H+]2Cc2cc(C)ccc2O)cc1 ZINC000091977260 454499135 /nfs/dbraw/zinc/49/91/35/454499135.db2.gz XRSVMVMNWATTSN-GOSISDBHSA-N 1 0 340.423 3.312 10 10 EGCERO C[C@@H]([NH2+]C[C@H](C)N1CCOCC1)c1ccc(N2CCCCC2)cc1 ZINC000123493732 454644089 /nfs/dbraw/zinc/64/40/89/454644089.db2.gz HMSRHVYWSDHCMN-ZWKOTPCHSA-N 1 0 331.504 3.048 10 10 EGCERO C[C@@H](NC[C@@H](O)C[NH+]1CCCCC1)c1ccc(N2CCCCC2)cc1 ZINC000151244459 454958424 /nfs/dbraw/zinc/95/84/24/454958424.db2.gz VIALHGFCRCOJGX-WIYYLYMNSA-N 1 0 345.531 3.174 10 10 EGCERO C[C@@H]([NH2+]CCCN1CCOC1=O)c1ccc(N2CCCCC2)c(F)c1 ZINC000178585576 454963391 /nfs/dbraw/zinc/96/33/91/454963391.db2.gz XUOZEFVSJPHUHX-OAHLLOKOSA-N 1 0 349.450 3.309 10 10 EGCERO C[C@@H]([NH2+]Cc1cccnc1-n1cncn1)c1ccc2ccccc2c1O ZINC000185025541 455488102 /nfs/dbraw/zinc/48/81/02/455488102.db2.gz OJFCDWTXDIVXEO-CQSZACIVSA-N 1 0 345.406 3.372 10 10 EGCERO CC(=O)N1CC[C@@H]([NH2+]Cc2cc(C)ccc2O)c2ccc(F)cc2C1 ZINC000185352819 455546690 /nfs/dbraw/zinc/54/66/90/455546690.db2.gz UQFDCANYNWDWGN-LJQANCHMSA-N 1 0 342.414 3.423 10 10 EGCERO CCc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1cc3c(cc1O)CCCC3)CC2 ZINC000185995687 455670800 /nfs/dbraw/zinc/67/08/00/455670800.db2.gz HUDPRURTVVIYRD-CZUORRHYSA-N 1 0 340.471 3.091 10 10 EGCERO CCN(C)c1ccc([C@H](C)[NH2+][C@H]2CCCN(c3cnn(C)c3)C2)cc1 ZINC000248168620 455692758 /nfs/dbraw/zinc/69/27/58/455692758.db2.gz UGYZYTRNXNRRJT-WMZOPIPTSA-N 1 0 341.503 3.196 10 10 EGCERO CC(C)(C)OC(=O)N1CC[C@H]2C[N@H+](Cc3ccccc3O)CC[C@H]21 ZINC000292781247 455756441 /nfs/dbraw/zinc/75/64/41/455756441.db2.gz LLBCSRJJSHODDU-GOEBONIOSA-N 1 0 332.444 3.224 10 10 EGCERO COC1CCN(c2ccc(C[N@H+]3[C@H](C)C[C@@H](O)C[C@@H]3C)cc2)CC1 ZINC000295762985 455858656 /nfs/dbraw/zinc/85/86/56/455858656.db2.gz PCNLZYRWFMXDOM-HGKCTWBKSA-N 1 0 332.488 3.036 10 10 EGCERO CC[C@H]([NH2+][C@@H](Cc1ccccc1)C(=O)N(C)C)c1ccc(C)cc1O ZINC000279966094 455879616 /nfs/dbraw/zinc/87/96/16/455879616.db2.gz CPNJTBCKZISDKL-OALUTQOASA-N 1 0 340.467 3.441 10 10 EGCERO CC[C@H]([NH2+][C@H]1CCCN(c2cc(C)nn2C)C1)c1ccc(C)cc1O ZINC000280058375 455882303 /nfs/dbraw/zinc/88/23/03/455882303.db2.gz KDWAJIAWLPPOED-WMZOPIPTSA-N 1 0 342.487 3.452 10 10 EGCERO COc1cc(O)c(C[NH2+][C@H]2CCOc3c(C)cccc32)cc1OC ZINC000188128252 456003985 /nfs/dbraw/zinc/00/39/85/456003985.db2.gz SBHZTTCZVVZLNW-HNNXBMFYSA-N 1 0 329.396 3.331 10 10 EGCERO C[C@@H]([NH2+]CCS(=O)(=O)c1ccccc1)c1cc(Cl)ccc1O ZINC000273301200 456222642 /nfs/dbraw/zinc/22/26/42/456222642.db2.gz BOMCGQJIFQBKPU-GFCCVEGCSA-N 1 0 339.844 3.170 10 10 EGCERO COc1cc(Cl)cc(CN2CCC3(C2)Oc2ccccc2O3)c1O ZINC000290222450 456270016 /nfs/dbraw/zinc/27/00/16/456270016.db2.gz RTOOFCVOZSIMMS-UHFFFAOYSA-N 1 0 347.798 3.428 10 10 EGCERO COC1(C[C@H](C)[NH2+]Cc2ccc(N3CCC(CO)CC3)cc2)CCC1 ZINC000277087052 456676019 /nfs/dbraw/zinc/67/60/19/456676019.db2.gz KEYNSDSJPFSIFS-KRWDZBQOSA-N 1 0 346.515 3.333 10 10 EGCERO CC[C@H]([NH2+]C[C@@H]1CCC2(CCOCC2)[C@@H]1O)c1ccc(N(C)C)cc1 ZINC000283493667 456792158 /nfs/dbraw/zinc/79/21/58/456792158.db2.gz YGNIPANECXPWAJ-YSIASYRMSA-N 1 0 346.515 3.361 10 10 EGCERO COc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCc3cnn(C(C)C)c3C2)c1 ZINC000364769736 457690420 /nfs/dbraw/zinc/69/04/20/457690420.db2.gz LZIJQEVPNAXXIV-HIFRSBDPSA-N 1 0 329.444 3.386 10 10 EGCERO C[C@H](Cn1cncn1)[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000367539531 457960796 /nfs/dbraw/zinc/96/07/96/457960796.db2.gz AXCAXJCPRUSVEM-QGZVFWFLSA-N 1 0 347.466 3.019 10 10 EGCERO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCC[C@@H]2C)C1 ZINC000435819650 458209663 /nfs/dbraw/zinc/20/96/63/458209663.db2.gz TWHJAXWXFIAQQI-INIZCTEOSA-N 1 0 339.483 3.419 10 10 EGCERO CCOCc1cc(CNC2CC([NH+]3CCCCC3)C2)ccc1OC ZINC000369541650 458259163 /nfs/dbraw/zinc/25/91/63/458259163.db2.gz PGZYUWOJPWMFAL-UHFFFAOYSA-N 1 0 332.488 3.338 10 10 EGCERO C[C@H](N[C@@H]1CC[NH2+]C12CCC2)c1ccc(Br)cc1O ZINC000530213605 458718396 /nfs/dbraw/zinc/71/83/96/458718396.db2.gz ATNIGUDISBYYFT-IINYFYTJSA-N 1 0 325.250 3.090 10 10 EGCERO COc1ccc(CN2CC[C@H]2C[NH2+][C@@H](C)c2ccccc2O)cc1 ZINC000527971452 459785740 /nfs/dbraw/zinc/78/57/40/459785740.db2.gz SIDVHNSKWWIPAZ-RDJZCZTQSA-N 1 0 326.440 3.326 10 10 EGCERO C[C@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1Cc1cc2c(cc1O)CCC2 ZINC000738108579 576289455 /nfs/dbraw/zinc/28/94/55/576289455.db2.gz DHBDIKAUCHPNPA-AWEZNQCLSA-N 1 0 346.471 3.322 10 10 EGCERO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CCC3(C2)CCCCC3)cc1 ZINC000741807795 576724387 /nfs/dbraw/zinc/72/43/87/576724387.db2.gz LWODBPZRVSOTLE-UHFFFAOYSA-N 1 0 343.515 3.367 10 10 EGCERO Cc1occc1C(=O)NC1CC[NH+](Cc2cc(C)cc(C)c2O)CC1 ZINC000164277623 1294346659 /nfs/dbraw/zinc/34/66/59/1294346659.db2.gz CYGSMONHOAYRIW-UHFFFAOYSA-N 1 0 342.439 3.305 10 10 EGCERO COc1cc(C)cc(C[N@H+](C)Cc2cn(C)nc2C(F)(F)F)c1O ZINC000164541340 1294349737 /nfs/dbraw/zinc/34/97/37/1294349737.db2.gz RSPZDOQWRNDEBZ-UHFFFAOYSA-N 1 0 343.349 3.094 10 10 EGCERO CC[C@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1)[C@@H]1CCCOC1 ZINC000872026319 1296671246 /nfs/dbraw/zinc/67/12/46/1296671246.db2.gz COEIEXQXZCTGPA-HQRMLTQVSA-N 1 0 332.488 3.379 10 10 EGCERO CC[C@@H]([NH2+]Cc1ccc(N2CCC(CO)CC2)cc1)[C@H]1CCCOC1 ZINC000872028496 1296673592 /nfs/dbraw/zinc/67/35/92/1296673592.db2.gz RPUCHMJVGSCBTG-PZJWPPBQSA-N 1 0 346.515 3.190 10 10 EGCERO Cc1cc(Br)c([O-])c(C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)c1 ZINC000872251791 1296854011 /nfs/dbraw/zinc/85/40/11/1296854011.db2.gz NEEKDTLWIBSIJB-ZDUSSCGKSA-N 1 0 341.293 3.331 10 10 EGCERO Oc1cccc(Br)c1CN1CCC[C@@]2(CCC[NH2+]C2)C1 ZINC000706843043 1298223759 /nfs/dbraw/zinc/22/37/59/1298223759.db2.gz LVDDDQQFHCRPIT-MRXNPFEDSA-N 1 0 339.277 3.120 10 10 EGCERO COC(=O)c1c(C[NH2+][C@H]2CCOC(C)(C)C2)c2cc(F)ccc2n1C ZINC000894362011 1306360292 /nfs/dbraw/zinc/36/02/92/1306360292.db2.gz POGQUIRYTSLBMC-ZDUSSCGKSA-N 1 0 348.418 3.151 10 10 EGCERO COC(=O)c1c(C[NH2+][C@@H]2CS[C@H](C)C2)c2cc(F)ccc2n1C ZINC000894993415 1309147324 /nfs/dbraw/zinc/14/73/24/1309147324.db2.gz RUUBLWBJYUBHOV-PWSUYJOCSA-N 1 0 336.432 3.088 10 10 EGCERO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000897739681 1310449658 /nfs/dbraw/zinc/44/96/58/1310449658.db2.gz RAYDFMXCZABUII-WCQYABFASA-N 1 0 346.452 3.011 10 10 EGCERO c1n[nH]c2c1CCC[C@@H]2[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000857848807 1328602504 /nfs/dbraw/zinc/60/25/04/1328602504.db2.gz NGGHTSJZCIQJSF-KRWDZBQOSA-N 1 0 328.485 3.130 10 10 EGCERO C[C@H]([NH2+]Cc1ccc(N2CCC(CO)CC2)cc1)[C@@H]1C[C@H]1C1CC1 ZINC000858106810 1328684055 /nfs/dbraw/zinc/68/40/55/1328684055.db2.gz SRQOYNVCMVERPS-JHVJFLLYSA-N 1 0 328.500 3.420 10 10 EGCERO C[C@@H](O)[C@H]([NH2+]Cc1c(O)cccc1Br)c1ccccc1 ZINC000858195735 1328709181 /nfs/dbraw/zinc/70/91/81/1328709181.db2.gz AQWMSZLEIHDSJM-BZNIZROVSA-N 1 0 336.229 3.366 10 10 EGCERO C[C@H]([NH2+]C[C@H](n1cccn1)C(F)(F)F)c1ccc(N(C)C)cc1 ZINC000858449101 1328765359 /nfs/dbraw/zinc/76/53/59/1328765359.db2.gz WNYZXACZDNOHEI-WFASDCNBSA-N 1 0 326.366 3.403 10 10 EGCERO Cc1ccc([C@@H](C)[NH2+]Cc2ccc3oc(=O)n(C)c3c2)c(O)c1C ZINC000858539190 1328791790 /nfs/dbraw/zinc/79/17/90/1328791790.db2.gz AAJASUIEVFOOEI-CYBMUJFWSA-N 1 0 326.396 3.305 10 10 EGCERO COc1cc(Br)cc([C@H](C)[NH2+]C[C@H]2C[C@@H](OC)C2)c1O ZINC000858592506 1328804093 /nfs/dbraw/zinc/80/40/93/1328804093.db2.gz DNQBSNDSLRZCNJ-JBLDHEPKSA-N 1 0 344.249 3.239 10 10 EGCERO C[C@@H]([NH2+]Cc1cc(CO)ccc1F)c1ccc(N2CCOCC2)cc1 ZINC000859230140 1328951943 /nfs/dbraw/zinc/95/19/43/1328951943.db2.gz RYNPTYUKKBNPKZ-OAHLLOKOSA-N 1 0 344.430 3.005 10 10 EGCERO COc1ccc(N2CC[NH+](CCCC(C)(F)F)CC2)c(OC)c1 ZINC000931530300 1329136587 /nfs/dbraw/zinc/13/65/87/1329136587.db2.gz AXFAQLADALFGGH-UHFFFAOYSA-N 1 0 328.403 3.261 10 10 EGCERO COc1ccc(N2CC[C@@H](C[NH2+][C@H](C3CC3)C3CCOCC3)C2)cc1 ZINC000926612306 1327634186 /nfs/dbraw/zinc/63/41/86/1327634186.db2.gz OKBOMMIGKXLFBL-HRAATJIYSA-N 1 0 344.499 3.316 10 10 EGCERO C[C@H]([NH2+]C[C@@H]1C=C[C@H]2C[C@@H]1CO2)c1cc(Br)ccc1O ZINC000926936630 1327784875 /nfs/dbraw/zinc/78/48/75/1327784875.db2.gz LCQVKUGESKVULK-FMSGJZPZSA-N 1 0 338.245 3.396 10 10 EGCERO C[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1)C1CC(F)(F)C1 ZINC000862275698 1329473474 /nfs/dbraw/zinc/47/34/74/1329473474.db2.gz YDUBBUOZXIAPDX-LBPRGKRZSA-N 1 0 342.405 3.310 10 10 EGCERO COC[C@H]1CCC[N@H+](Cc2c(O)cccc2Br)CC1 ZINC000862390562 1329481601 /nfs/dbraw/zinc/48/16/01/1329481601.db2.gz GNLIIFUQMOIGAC-LBPRGKRZSA-N 1 0 328.250 3.403 10 10 EGCERO CN(C)c1ccc(/C=C\CN2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1 ZINC000863646417 1329570060 /nfs/dbraw/zinc/57/00/60/1329570060.db2.gz SJUUBDHXIPJZGB-MXTKCAFNSA-N 1 0 341.421 3.225 10 10 EGCERO CC[C@@H]1[C@@H](C(=O)NCc2ccc(N3CCCCC3)cc2)CC[N@@H+]1C ZINC000865031306 1329662945 /nfs/dbraw/zinc/66/29/45/1329662945.db2.gz LQRIZCPKJZRUOK-RBUKOAKNSA-N 1 0 329.488 3.023 10 10 EGCERO Fc1cc(C[NH2+][C@@H](C2CCC2)[C@@H]2CCCO2)ccc1N1CCOCC1 ZINC000865737214 1329734047 /nfs/dbraw/zinc/73/40/47/1329734047.db2.gz RYLPPRLWLLGAJH-PMACEKPBSA-N 1 0 348.462 3.100 10 10 EGCERO CC(=O)c1cc(Cl)cc(C[NH+]2CCC(c3ccn(C)n3)CC2)c1O ZINC000932145285 1329788554 /nfs/dbraw/zinc/78/85/54/1329788554.db2.gz PAFQTWDBIMSNQY-UHFFFAOYSA-N 1 0 347.846 3.361 10 10 EGCERO [NH3+][C@@H]1C[C@H]1c1ccc(NC(=O)NCc2ccc(N3CC=CC3)cc2)cc1 ZINC000868185142 1330259857 /nfs/dbraw/zinc/25/98/57/1330259857.db2.gz NJSCSGUZIABZDX-VQTJNVASSA-N 1 0 348.450 3.199 10 10 EGCERO C[C@H](NC(=O)NC1CCC(C)([NH+](C)C)CC1)c1ccc(N(C)C)cc1 ZINC000868515967 1330289209 /nfs/dbraw/zinc/28/92/09/1330289209.db2.gz YBDIBJPJNBQNMY-FVWXCPNNSA-N 1 0 346.519 3.376 10 10 EGCERO C[C@@H]1C[C@H]([N@H+](C)Cc2cc(Br)cc(F)c2[O-])CCN1C ZINC001119443209 1371342688 /nfs/dbraw/zinc/34/26/88/1371342688.db2.gz JEQREUAERSAHKK-ZWNOBZJWSA-N 1 0 345.256 3.208 10 10 EGCERO C[C@@H]1C[C@@H]([N@H+](C)Cc2cc(Br)cc(F)c2[O-])CCN1C ZINC001119443208 1371342975 /nfs/dbraw/zinc/34/29/75/1371342975.db2.gz JEQREUAERSAHKK-MFKMUULPSA-N 1 0 345.256 3.208 10 10 EGCERO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]CC1(C2(O)CCOCC2)CC1 ZINC001119607165 1371374079 /nfs/dbraw/zinc/37/40/79/1371374079.db2.gz YAOPJOCTNRPTJP-HUUCEWRRSA-N 1 0 331.456 3.160 10 10 EGCERO COc1ccc(C[NH2+]C2(CNC(=O)C3CC(C)C3)CCC2)cc1C ZINC001326802050 1388315699 /nfs/dbraw/zinc/31/56/99/1388315699.db2.gz NVMDCPSIYAOGIV-UHFFFAOYSA-N 1 0 330.472 3.178 10 10 EGCERO C[NH+]1CCN(c2ccc(CNC(=O)CC3(C)CCCC3)cc2)CC1 ZINC001133123745 1375788527 /nfs/dbraw/zinc/78/85/27/1375788527.db2.gz WLBYHMNNGTVOPT-UHFFFAOYSA-N 1 0 329.488 3.025 10 10 EGCERO CC(C)[C@]1(C)C[C@@H]1NC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001229750017 1375885869 /nfs/dbraw/zinc/88/58/69/1375885869.db2.gz BVRGBAXCJNBWGE-HBFSDRIKSA-N 1 0 346.519 3.089 10 10 EGCERO CCC(C)(C)CCNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001234316876 1376806136 /nfs/dbraw/zinc/80/61/36/1376806136.db2.gz SDDNHXLFUNLBSP-SFHVURJKSA-N 1 0 348.535 3.481 10 10 EGCERO COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)c2cccc(F)c2)cc1C ZINC001283568137 1379026029 /nfs/dbraw/zinc/02/60/29/1379026029.db2.gz ZJSBCZXAQSCWHJ-OAHLLOKOSA-N 1 0 344.430 3.393 10 10 EGCERO CC[C@@H]1CCC[C@@]1(C)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001288334091 1381782526 /nfs/dbraw/zinc/78/25/26/1381782526.db2.gz BTWSDSVFSMPJAH-WIYYLYMNSA-N 1 0 343.515 3.271 10 10 EGCERO CCC[N@@H+]1CCC[C@@H](C(=O)NCc2ccc(N3CCCCC3)cc2)C1 ZINC001299788544 1383628226 /nfs/dbraw/zinc/62/82/26/1383628226.db2.gz UNSRNZUTUOTDCM-LJQANCHMSA-N 1 0 343.515 3.415 10 10 EGCERO CN(C)c1ccc(C[N@H+](C[C@H]2CCC[C@]3(CCOC3)O2)C2CC2)cc1 ZINC001307424113 1383988160 /nfs/dbraw/zinc/98/81/60/1383988160.db2.gz MXTCCCAWIAFILD-NHCUHLMSSA-N 1 0 344.499 3.445 10 10 EGCERO CC[C@](O)(C[N@H+](Cc1ccc(N(C)C)cc1)C1CC1)C(F)(F)F ZINC001307424773 1383988262 /nfs/dbraw/zinc/98/82/62/1383988262.db2.gz VLLAZXMUCPEVOH-INIZCTEOSA-N 1 0 330.394 3.420 10 10 EGCERO c1ccc2c(c1)OC[C@@H](CC[NH2+]Cc1ccc3c(c1)CCCO3)O2 ZINC001308441363 1384125987 /nfs/dbraw/zinc/12/59/87/1384125987.db2.gz MSASIGMQAKXLQB-QGZVFWFLSA-N 1 0 325.408 3.331 10 10 EGCERO C[C@@H]1CCN(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)C[C@H]1C ZINC001313410055 1384416500 /nfs/dbraw/zinc/41/65/00/1384416500.db2.gz DGSFDVRWTVEOKM-MDZRGWNJSA-N 1 0 346.519 3.043 10 10 EGCERO CN(C)c1ccc(CNC(=O)C[N@@H+]2CCCC3(CCCC3)CC2)cc1 ZINC001171910856 1384678998 /nfs/dbraw/zinc/67/89/98/1384678998.db2.gz AMMMJMUGQKXGNR-UHFFFAOYSA-N 1 0 343.515 3.415 10 10 EGCERO COc1ccc(C[NH2+][C@@H](C)[C@H](C)NC(=O)C2(F)CCCC2)cc1C ZINC001329066356 1388951936 /nfs/dbraw/zinc/95/19/36/1388951936.db2.gz DTVRFCRKYQSPPE-GJZGRUSLSA-N 1 0 336.451 3.269 10 10 EGCERO CC[C@@H](CNC(=O)[C@@H](C)C(C)(F)F)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001318575268 1385766027 /nfs/dbraw/zinc/76/60/27/1385766027.db2.gz IHJBJQLGYUGFAM-HIFRSBDPSA-N 1 0 342.430 3.279 10 10 EGCERO COc1ccc(C[NH2+]C[C@@H](CC(C)C)NC(=O)C2(C)CC2)cc1C ZINC001319620762 1386213676 /nfs/dbraw/zinc/21/36/76/1386213676.db2.gz SVUZODBCRHBBAW-QGZVFWFLSA-N 1 0 332.488 3.424 10 10 EGCERO COc1ccc(C[NH2+][C@H](CNC(=O)[C@@H]2CC23CCC3)C(C)C)cc1C ZINC001319948162 1386412166 /nfs/dbraw/zinc/41/21/66/1386412166.db2.gz TYHZAVGVKTUWEJ-ZWKOTPCHSA-N 1 0 344.499 3.424 10 10 EGCERO COc1ccc(C[NH2+]CCCN(C)C(=O)c2ccsc2)cc1C ZINC001322404026 1387180646 /nfs/dbraw/zinc/18/06/46/1387180646.db2.gz YQLDKRXGUGVSOO-UHFFFAOYSA-N 1 0 332.469 3.317 10 10 EGCERO C[C@H]1CCCN(C(=O)CC[NH2+]C/C=C\c2ccc(N(C)C)cc2)C1 ZINC001330719392 1389508539 /nfs/dbraw/zinc/50/85/39/1389508539.db2.gz BLYPESZJBDPEHB-IMXKFXGHSA-N 1 0 329.488 3.004 10 10 EGCERO CC(C)NC(=O)[C@H]1CCC[N@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001333863079 1390423837 /nfs/dbraw/zinc/42/38/37/1390423837.db2.gz FIHIBNQBPDJPAW-SFHVURJKSA-N 1 0 329.488 3.023 10 10 EGCERO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]CCC1(CS(C)(=O)=O)CC1 ZINC001346857455 1390982614 /nfs/dbraw/zinc/98/26/14/1390982614.db2.gz AGMUOBIBECYVLR-KGLIPLIRSA-N 1 0 337.485 3.053 10 10 EGCERO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@H]1Cc2ccccc2N(C)C1=O ZINC001346870611 1390983690 /nfs/dbraw/zinc/98/36/90/1390983690.db2.gz YURAZAZGPNFQIZ-KBMXLJTQSA-N 1 0 336.435 3.426 10 10 EGCERO COCC1([NH2+]Cc2ccc(N3CCN(C)CC3)c(F)c2)CCCCC1 ZINC001347179795 1391020036 /nfs/dbraw/zinc/02/00/36/1391020036.db2.gz YPBPYQPOXWIMCF-UHFFFAOYSA-N 1 0 349.494 3.016 10 10 EGCERO COc1ccc(C[NH2+][C@@H](C)CCNC(=O)C[C@H]2C=CCC2)cc1C ZINC001480747402 1392911559 /nfs/dbraw/zinc/91/15/59/1392911559.db2.gz OFJSJTZRYSALQL-IRXDYDNUSA-N 1 0 330.472 3.344 10 10 EGCERO COc1ccc(C[NH2+]CCN(C)C(=O)[C@@H](C)c2ccc(C)o2)cc1C ZINC001481289032 1393159112 /nfs/dbraw/zinc/15/91/12/1393159112.db2.gz BCJRHPKHWULVMT-INIZCTEOSA-N 1 0 344.455 3.257 10 10 EGCERO COc1ccc(C[NH2+][C@H](CNC(=O)[C@H](C)C(C)C)C2CC2)cc1C ZINC001490715656 1394304911 /nfs/dbraw/zinc/30/49/11/1394304911.db2.gz BKOLJKPXOIZDLC-CRAIPNDOSA-N 1 0 332.488 3.280 10 10 EGCERO COc1ccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)c2ccccc2F)cc1C ZINC001485116280 1395664948 /nfs/dbraw/zinc/66/49/48/1395664948.db2.gz ORCWERIUVQMXQD-HUUCEWRRSA-N 1 0 344.430 3.439 10 10 EGCERO COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)C[C@H](C)C2CC2)cc1C ZINC001485961878 1396174343 /nfs/dbraw/zinc/17/43/43/1396174343.db2.gz UCZYFUWGCOGZLB-GOEBONIOSA-N 1 0 332.488 3.376 10 10 EGCERO COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)C[C@@H](C)C2CC2)cc1C ZINC001485961880 1396174384 /nfs/dbraw/zinc/17/43/84/1396174384.db2.gz UCZYFUWGCOGZLB-ZBFHGGJFSA-N 1 0 332.488 3.376 10 10 EGCERO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)CCCF)C[C@@H]2C)cc1C ZINC001496358906 1396665895 /nfs/dbraw/zinc/66/58/95/1396665895.db2.gz DEPYNVQAZRNQND-DOTOQJQBSA-N 1 0 336.451 3.080 10 10 EGCERO CCCCC[N@@H+]1CC[C@@H](CNC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001691171011 1405107233 /nfs/dbraw/zinc/10/72/33/1405107233.db2.gz LLRGORCIUXVPOB-AWEZNQCLSA-N 1 0 345.447 3.091 10 10 EGCERO COc1ccc(C[NH2+][C@H]2C[C@@H](CNC(=O)CC(C)(F)F)C2)cc1C ZINC001691740113 1405462705 /nfs/dbraw/zinc/46/27/05/1405462705.db2.gz JWAYKKWIDKZFJV-GASCZTMLSA-N 1 0 340.414 3.033 10 10 EGCERO CC[C@H](CNC(=O)C[C@@H]1C=CCC1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001732193687 1428445287 /nfs/dbraw/zinc/44/52/87/1428445287.db2.gz XPYOQNKCADGLOP-SJLPKXTDSA-N 1 0 330.472 3.344 10 10 EGCERO CC[C@@H](CNC(=O)[C@H]1[C@@H]2CCCC[C@@H]21)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001732195687 1428447030 /nfs/dbraw/zinc/44/70/30/1428447030.db2.gz SIFRZLIJCHDTTE-PNYFIKQUSA-N 1 0 344.499 3.424 10 10 EGCERO C[C@H](C[NH2+]CCCC1CCC1)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001699391249 1412705869 /nfs/dbraw/zinc/70/58/69/1412705869.db2.gz IZWBOULMKXCPIJ-CYBMUJFWSA-N 1 0 345.447 3.137 10 10 EGCERO C/C=C(/C)C(=O)N1CC[C@H](CC[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001700056061 1413476470 /nfs/dbraw/zinc/47/64/70/1413476470.db2.gz ZOJBHLXCINRVEG-FLUNIGMLSA-N 1 0 330.472 3.298 10 10 EGCERO COc1ccc(C[NH2+]CC[C@H](C)NC(=O)c2ccccc2F)cc1C ZINC001732676954 1428904429 /nfs/dbraw/zinc/90/44/29/1428904429.db2.gz OSVQVCPPOMBQQM-HNNXBMFYSA-N 1 0 344.430 3.441 10 10 EGCERO COc1ccc(C[NH2+]CC[C@@H](C)NC(=O)CC(C)(F)F)cc1C ZINC001732727866 1428931196 /nfs/dbraw/zinc/93/11/96/1428931196.db2.gz ZRKSZBNGWGMXAU-CYBMUJFWSA-N 1 0 328.403 3.033 10 10 EGCERO COc1ccc(C[NH2+]C[C@H](C)NC(=O)c2ccc(F)cc2)cc1C ZINC001732986353 1429113336 /nfs/dbraw/zinc/11/33/36/1429113336.db2.gz DXIFSCWLLBYHPT-AWEZNQCLSA-N 1 0 330.403 3.051 10 10 EGCERO COc1ccc(C[NH2+]C[C@H](C)NC(=O)C23CCC(CC2)C3)cc1C ZINC001733001374 1429122756 /nfs/dbraw/zinc/12/27/56/1429122756.db2.gz FWLFRIABNTXLFH-SHPPYHEDSA-N 1 0 330.472 3.178 10 10 EGCERO CC[C@@H](CNC(=O)C1C=CC=CC=C1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001714075217 1418869506 /nfs/dbraw/zinc/86/95/06/1418869506.db2.gz KKNRRWQJWNTPKD-IBGZPJMESA-N 1 0 340.467 3.286 10 10 EGCERO CC[C@@H](CNC(=O)Cc1ccc(C)o1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001715053882 1419794670 /nfs/dbraw/zinc/79/46/70/1419794670.db2.gz ATMNNPWPSWMPMR-KRWDZBQOSA-N 1 0 344.455 3.132 10 10 EGCERO COc1ccc(C[NH2+][C@H](CNC(=O)CC2CCC2)C(C)C)cc1C ZINC001715522333 1420209618 /nfs/dbraw/zinc/20/96/18/1420209618.db2.gz NVSXAGYXNJVXQA-GOSISDBHSA-N 1 0 332.488 3.424 10 10 EGCERO COc1ccc(C[NH2+]C/C=C/CNC(=O)c2ccoc2Cl)cc1C ZINC001715808345 1420351833 /nfs/dbraw/zinc/35/18/33/1420351833.db2.gz GZTLCNYBQRNZQS-ONEGZZNKSA-N 1 0 348.830 3.326 10 10 EGCERO COc1ccc(C[NH2+]CC[C@H]2CCN(C(=O)CCCF)C2)cc1C ZINC001717094096 1421106808 /nfs/dbraw/zinc/10/68/08/1421106808.db2.gz WEHBPTDBMVFXNB-INIZCTEOSA-N 1 0 336.451 3.082 10 10 EGCERO COc1ccc(C[NH2+]CC(C)(C)CN(C)C(=O)[C@H]2CC23CC3)cc1C ZINC001717457056 1421386487 /nfs/dbraw/zinc/38/64/87/1421386487.db2.gz UXVVAUWDFVBWNW-QGZVFWFLSA-N 1 0 344.499 3.378 10 10 EGCERO COc1ccc(C[NH2+]C[C@H](NC(=O)[C@H](C)C2CCC2)C2CC2)cc1C ZINC001723309124 1424343577 /nfs/dbraw/zinc/34/35/77/1424343577.db2.gz YSIYKLUWNGZXHI-BEFAXECRSA-N 1 0 344.499 3.424 10 10 EGCERO COc1ccc(C[NH2+]C[C@@H](NC(=O)C2(C)CC2)C(C)(C)C)cc1C ZINC001725737276 1426412112 /nfs/dbraw/zinc/41/21/12/1426412112.db2.gz DFRPUJHGDDAIKL-QGZVFWFLSA-N 1 0 332.488 3.424 10 10 EGCERO COc1ccc(C[NH2+][C@@H](C)CNC(=O)c2cc(C)cc(F)c2)cc1C ZINC001731620695 1427670271 /nfs/dbraw/zinc/67/02/71/1427670271.db2.gz NGMGELDTRZICDZ-HNNXBMFYSA-N 1 0 344.430 3.359 10 10 EGCERO CC(C)CC[NH2+][C@H]1C[C@H](C)N(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001734428197 1438092938 /nfs/dbraw/zinc/09/29/38/1438092938.db2.gz KTBGCVKKUJMZPU-BBRMVZONSA-N 1 0 345.447 3.088 10 10 EGCERO C[N@H+](CCOc1ccccc1)Cc1ccc(N2CCOCC2)cc1 ZINC000071004822 454192033 /nfs/dbraw/zinc/19/20/33/454192033.db2.gz YLNSVGRETNYTNE-UHFFFAOYSA-N 1 0 326.440 3.034 10 10 EGCERO COc1cc(O)c(C[N@@H+]2CCC[C@H](c3nccs3)C2)cc1OC ZINC000160076880 455426315 /nfs/dbraw/zinc/42/63/15/455426315.db2.gz SUHRVWBPYMBRTQ-LBPRGKRZSA-N 1 0 334.441 3.246 10 10 EGCERO Cc1ccc(N2CCC[N@H+](Cc3c(O)ccc4ccccc43)CC2)nn1 ZINC000093151449 454689358 /nfs/dbraw/zinc/68/93/58/454689358.db2.gz BCNDSUUBVFCXDC-UHFFFAOYSA-N 1 0 348.450 3.356 10 10 EGCERO CC(=O)c1cc(F)cc(C[NH+]2CCC(C3CCOCC3)CC2)c1O ZINC000153447959 454794548 /nfs/dbraw/zinc/79/45/48/454794548.db2.gz VFRQUTHKBRXXKC-UHFFFAOYSA-N 1 0 335.419 3.373 10 10 EGCERO CC[NH2+][C@@H](Cc1cc(OC)c(OC)c(OC)c1)c1ccc(O)c(O)c1 ZINC000169330221 454930307 /nfs/dbraw/zinc/93/03/07/454930307.db2.gz SCBHHBJGVDRHPC-AWEZNQCLSA-N 1 0 347.411 3.017 10 10 EGCERO COc1ccc(N2CCC[N@H+](Cc3cnn4ccccc34)CC2)cc1 ZINC000179550492 455056871 /nfs/dbraw/zinc/05/68/71/455056871.db2.gz DIEREEYWHIZBAT-UHFFFAOYSA-N 1 0 336.439 3.055 10 10 EGCERO Cc1cc(Cl)cc(C[NH+]2CCC(N3CCO[C@H](C)C3)CC2)c1O ZINC000179785313 455079224 /nfs/dbraw/zinc/07/92/24/455079224.db2.gz FDINCTGFIGTRDL-CQSZACIVSA-N 1 0 338.879 3.039 10 10 EGCERO C[C@H]([NH2+][C@H]1CCc2ncnn2C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000180594724 455204722 /nfs/dbraw/zinc/20/47/22/455204722.db2.gz ZJKQXFWDSLSHMH-HOCLYGCPSA-N 1 0 343.450 3.073 10 10 EGCERO CN(Cc1cccnc1)C[C@@H]1CC[N@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000190490683 455332104 /nfs/dbraw/zinc/33/21/04/455332104.db2.gz VHOWHSZUMSJQHW-FQEVSTJZSA-N 1 0 338.499 3.102 10 10 EGCERO COc1cc(OC)c(C[NH2+][C@@H](C)c2cc(F)ccc2O)c(OC)c1 ZINC000185066351 455494723 /nfs/dbraw/zinc/49/47/23/455494723.db2.gz ASZBFCWXVLTKKL-NSHDSACASA-N 1 0 335.375 3.408 10 10 EGCERO CC(=O)N1CC[C@H]([NH2+]Cc2cc(F)ccc2O)c2ccc(F)cc2C1 ZINC000185606198 455584122 /nfs/dbraw/zinc/58/41/22/455584122.db2.gz CVNATWXTIJNLLK-SFHVURJKSA-N 1 0 346.377 3.254 10 10 EGCERO COc1cc(Cl)cc(C[N@@H+]2CC[C@@H](C)[C@H](n3ccnc3)C2)c1O ZINC000248862075 455735430 /nfs/dbraw/zinc/73/54/30/455735430.db2.gz GIRZTCJHPAKNDI-IUODEOHRSA-N 1 0 335.835 3.334 10 10 EGCERO COc1c(O)c(CNc2ccc3c(c2)CCCN3C)ccc1[N+](=O)[O-] ZINC000278463869 455836412 /nfs/dbraw/zinc/83/64/12/455836412.db2.gz FRPIKHLWQOKAML-UHFFFAOYSA-N 1 0 343.383 3.304 10 10 EGCERO COC1CCN(c2ccc(C[N@H+](C)[C@@H]3CCN(C)[C@H](C)C3)cc2)CC1 ZINC000295118275 455839641 /nfs/dbraw/zinc/83/96/41/455839641.db2.gz WJQHMBXHSIVBRV-YLJYHZDGSA-N 1 0 345.531 3.216 10 10 EGCERO COc1cc(Cl)cc(C[NH2+][C@H]2CCCc3[nH]c(=O)ccc32)c1O ZINC000289953567 456194694 /nfs/dbraw/zinc/19/46/94/456194694.db2.gz YAKKUSRRTQKRQT-ZDUSSCGKSA-N 1 0 334.803 3.322 10 10 EGCERO CC[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1O)[C@H](C)c1cccnc1 ZINC000290658050 456398082 /nfs/dbraw/zinc/39/80/82/456398082.db2.gz ZLFXAGJQFUWKBI-GFCCVEGCSA-N 1 0 331.372 3.287 10 10 EGCERO CC[C@@H]1CCN1C(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000347635477 457565989 /nfs/dbraw/zinc/56/59/89/457565989.db2.gz PUPFQUJHLMGPCZ-MRXNPFEDSA-N 1 0 339.483 3.419 10 10 EGCERO CC(C)n1ncc2c1C[C@@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)CC2 ZINC000365131991 457728191 /nfs/dbraw/zinc/72/81/91/457728191.db2.gz KVDMYBLWZBOYOJ-INIZCTEOSA-N 1 0 330.451 3.316 10 10 EGCERO C[C@@H]1C[C@]2(CCO1)C[N@@H+](Cc1ccc(N(C)C)c(F)c1)C[C@H](C)O2 ZINC000366790430 457899843 /nfs/dbraw/zinc/89/98/43/457899843.db2.gz ARQYQECWQHVOEE-ZRGWGRIASA-N 1 0 336.451 3.050 10 10 EGCERO COc1cc(O)c(C[NH2+][C@@H](c2ccccc2)[C@H]2CCOC2)cc1OC ZINC000362040595 458020521 /nfs/dbraw/zinc/02/05/21/458020521.db2.gz PZVPZDYRUPZGSQ-YWZLYKJASA-N 1 0 343.423 3.277 10 10 EGCERO CC[C@@H]1C[N@H+](Cc2c(O)ccc3ccccc32)C[C@]2(CCOC2)O1 ZINC000373485448 458506379 /nfs/dbraw/zinc/50/63/79/458506379.db2.gz ZRNIJZFKBNOMRG-UZLBHIALSA-N 1 0 327.424 3.315 10 10 EGCERO CC[C@@H]1C[N@H+](Cc2c(O)ccc3ccccc32)C[C@@]2(CCOC2)O1 ZINC000373485445 458506429 /nfs/dbraw/zinc/50/64/29/458506429.db2.gz ZRNIJZFKBNOMRG-OXQOHEQNSA-N 1 0 327.424 3.315 10 10 EGCERO COc1ccc(CN2CC[C@H]2C[NH2+]Cc2cc(Cl)ccc2O)cc1 ZINC000527774044 459732122 /nfs/dbraw/zinc/73/21/22/459732122.db2.gz PEYVQPUWFNUQCU-KRWDZBQOSA-N 1 0 346.858 3.418 10 10 EGCERO COc1ccc(CN2CC[C@@H]2C[NH2+]Cc2cccc(C)c2O)cc1 ZINC000529643041 459831826 /nfs/dbraw/zinc/83/18/26/459831826.db2.gz HXCBPOKZDKJPES-GOSISDBHSA-N 1 0 326.440 3.073 10 10 EGCERO CC[C@H]1C[N@H+](Cc2c(O)c(C(=O)OC)cc3ccccc32)C[C@@H](C)O1 ZINC000732186151 575242771 /nfs/dbraw/zinc/24/27/71/575242771.db2.gz YIXDSXSSNGFEAY-HIFRSBDPSA-N 1 0 343.423 3.331 10 10 EGCERO COc1cccc(C[NH2+][C@H](Cc2nccn2C)c2ccccc2)c1O ZINC000742387673 576777831 /nfs/dbraw/zinc/77/78/31/576777831.db2.gz IUBFBBPRRSGDFK-QGZVFWFLSA-N 1 0 337.423 3.208 10 10 EGCERO c1ccc2nc(CC[NH2+]Cc3ccc(N4CCOCC4)cc3)ccc2c1 ZINC000744269809 576824304 /nfs/dbraw/zinc/82/43/04/576824304.db2.gz WSVHBKVBWVLTHR-UHFFFAOYSA-N 1 0 347.462 3.404 10 10 EGCERO COc1cc(C)cc(C[N@@H+]2CCN(C)C[C@H]2c2ccccc2)c1O ZINC000246583028 1296363162 /nfs/dbraw/zinc/36/31/62/1296363162.db2.gz MGBKYSMMDXUKEE-SFHVURJKSA-N 1 0 326.440 3.198 10 10 EGCERO Cc1nccnc1[C@H](C)[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000872135867 1296761600 /nfs/dbraw/zinc/76/16/00/1296761600.db2.gz YHOFOGJLLRWALL-ZFWWWQNUSA-N 1 0 344.434 3.173 10 10 EGCERO c1cc(N2CCOCC2)ccc1C[N@@H+]1CCC[C@@H](OC2CCC2)CC1 ZINC000872259967 1296862409 /nfs/dbraw/zinc/86/24/09/1296862409.db2.gz FTNHMEWXOAUDJP-OAQYLSRUSA-N 1 0 344.499 3.447 10 10 EGCERO C[N@@H+](Cc1cc(Br)cc(F)c1[O-])C[C@@H]1CCCCO1 ZINC000715735935 1298283904 /nfs/dbraw/zinc/28/39/04/1298283904.db2.gz COYOTRUJNBVLOQ-LBPRGKRZSA-N 1 0 332.213 3.295 10 10 EGCERO C[C@@H]1OC[C@]2(CC[C@@H](C[NH2+]Cc3cc(Cl)ccc3O)O2)[C@H]1C ZINC000886340507 1303442398 /nfs/dbraw/zinc/44/23/98/1303442398.db2.gz HUPZPCOTUBIUIE-WXRXAMBDSA-N 1 0 325.836 3.108 10 10 EGCERO COC(=O)c1c(C[NH2+]CC[C@@H]2CCCCO2)c2cc(F)ccc2n1C ZINC000894433658 1308880822 /nfs/dbraw/zinc/88/08/22/1308880822.db2.gz WZPGPKOFIMEYRE-AWEZNQCLSA-N 1 0 348.418 3.153 10 10 EGCERO COC(=O)c1c(C[N@H+](C)CC2=CCSC2)c2cc(F)ccc2n1C ZINC000895349201 1309292852 /nfs/dbraw/zinc/29/28/52/1309292852.db2.gz BZPCHIKHGUUQFB-UHFFFAOYSA-N 1 0 348.443 3.209 10 10 EGCERO COC(=O)c1c(C[NH2+][C@@H]2C[C@H]2C(F)(F)F)c2cc(F)ccc2n1C ZINC000895449812 1309343707 /nfs/dbraw/zinc/34/37/07/1309343707.db2.gz OJLUEMAMFLTSTN-VXGBXAGGSA-N 1 0 344.308 3.144 10 10 EGCERO CN(C)c1ccc(/C=C/C[N@@H+]2CC[C@](CO)(C(F)(F)F)C2)cc1 ZINC000895836935 1309547313 /nfs/dbraw/zinc/54/73/13/1309547313.db2.gz QHVJOUGKILDCHS-CWDCEQMOSA-N 1 0 328.378 3.013 10 10 EGCERO CN(C)c1ccc(/C=C/C[N@@H+]2CC[C@@](CO)(C(F)(F)F)C2)cc1 ZINC000895836937 1309547848 /nfs/dbraw/zinc/54/78/48/1309547848.db2.gz QHVJOUGKILDCHS-QDLOVBKTSA-N 1 0 328.378 3.013 10 10 EGCERO Oc1ccc(Br)cc1C[N@@H+]1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000895848460 1309557487 /nfs/dbraw/zinc/55/74/87/1309557487.db2.gz ZMPUOVJCMNWPCF-ABAIWWIYSA-N 1 0 326.234 3.156 10 10 EGCERO C[C@@H](NC(=O)c1cc2cc(O)c(O)cc2s1)C(C)(C)C[NH+](C)C ZINC000896658575 1309962472 /nfs/dbraw/zinc/96/24/72/1309962472.db2.gz RXRIJWKOYXXAHR-SNVBAGLBSA-N 1 0 336.457 3.019 10 10 EGCERO Cc1ncccc1/C=C/C(=O)N1C[C@@H]([NH+](C)C)CCc2ccccc21 ZINC000857927194 1328628531 /nfs/dbraw/zinc/62/85/31/1328628531.db2.gz ZLEOMKNMEQRHRY-BPOBUFBUSA-N 1 0 335.451 3.313 10 10 EGCERO Oc1ccc(F)cc1C[N@@H+]1CC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858017287 1328660681 /nfs/dbraw/zinc/66/06/81/1328660681.db2.gz XBISNLDXDYYXGD-KRWDZBQOSA-N 1 0 328.387 3.457 10 10 EGCERO C[C@@H]([NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1)[C@@H]1C[C@H]1C1CC1 ZINC000858175645 1328703252 /nfs/dbraw/zinc/70/32/52/1328703252.db2.gz AOHTVUCXOVLXAW-KCXAZCMYSA-N 1 0 336.426 3.326 10 10 EGCERO O=[N+]([O-])c1cc(C[NH2+]CC[C@@H]2CCCOC2)ccc1N1CCCCC1 ZINC000858205621 1328710996 /nfs/dbraw/zinc/71/09/96/1328710996.db2.gz BSAXSESVWACDOI-INIZCTEOSA-N 1 0 347.459 3.491 10 10 EGCERO COc1ccc(N2CCC([NH2+]C[C@H]3CCN3C3CCCC3)CC2)cc1 ZINC000858285408 1328729307 /nfs/dbraw/zinc/72/93/07/1328729307.db2.gz LJRUFNKDWCMOAH-HXUWFJFHSA-N 1 0 343.515 3.271 10 10 EGCERO Oc1ccccc1C[N@@H+](Cc1ccco1)C[C@@H](O)CCC1(O)CCC1 ZINC000929969747 1328752695 /nfs/dbraw/zinc/75/26/95/1328752695.db2.gz CPMIMDKEWNIFGM-KRWDZBQOSA-N 1 0 345.439 3.044 10 10 EGCERO COc1ccc(N2CC[C@@H]([NH2+][C@@H]3CCCc4scnc43)C2)cc1 ZINC000858431578 1328760914 /nfs/dbraw/zinc/76/09/14/1328760914.db2.gz ZCYJCEJMSBDOKS-CZUORRHYSA-N 1 0 329.469 3.398 10 10 EGCERO C[C@@H]([NH2+][C@@H]1CCN(C2CCC2)C1=O)c1cc2c(cc1O)CCCC2 ZINC000858602874 1328806642 /nfs/dbraw/zinc/80/66/42/1328806642.db2.gz LCYNNENLYOPOCB-FZKQIMNGSA-N 1 0 328.456 3.075 10 10 EGCERO Cc1cnc(Cl)c(C[NH2+]Cc2ccc(N3CCOCC3)cc2)c1 ZINC000921582238 1322358256 /nfs/dbraw/zinc/35/82/56/1322358256.db2.gz REOMTDUJWASDFF-UHFFFAOYSA-N 1 0 331.847 3.170 10 10 EGCERO COc1ccc(N2CCC([NH2+][C@@H]3CC[C@H]4COCC[C@H]4C3)CC2)cc1 ZINC000921653277 1322371247 /nfs/dbraw/zinc/37/12/47/1322371247.db2.gz AAPLUIQCINOOAK-JENIJYKNSA-N 1 0 344.499 3.459 10 10 EGCERO CC(C)n1ncc2c1C[C@@H]([NH2+]Cc1ccc3c(c1)CCCO3)CC2 ZINC000922048142 1322444255 /nfs/dbraw/zinc/44/42/55/1322444255.db2.gz CHAIEYYRLNGWJC-SFHVURJKSA-N 1 0 325.456 3.436 10 10 EGCERO CCOCc1cc(C[NH2+]C[C@H]2CC[C@@H](C(F)(F)F)O2)ccc1OC ZINC000922463989 1322534248 /nfs/dbraw/zinc/53/42/48/1322534248.db2.gz UPLRGAPYVBRCGG-ZBFHGGJFSA-N 1 0 347.377 3.431 10 10 EGCERO COc1ccc(N2CC[C@H](C[NH2+]C3CC4(C3)CO[C@@H](C)C4)C2)cc1 ZINC000926611327 1327634192 /nfs/dbraw/zinc/63/41/92/1327634192.db2.gz KLTLZADBSYAKMN-RIGHFQGKSA-N 1 0 330.472 3.069 10 10 EGCERO COc1ccc(N2CC[C@@H]([NH2+]C3CC4(C3)COC(C)(C)C4)C2)cc1 ZINC000926680676 1327664959 /nfs/dbraw/zinc/66/49/59/1327664959.db2.gz RDFSKYJIIMZOBF-LSWWBPAMSA-N 1 0 330.472 3.211 10 10 EGCERO CC[C@@H]([NH2+]CCc1ccccc1S(=O)(=O)CC)c1ccccc1O ZINC000926908491 1327769729 /nfs/dbraw/zinc/76/97/29/1327769729.db2.gz LBBAQCSCPIXYPB-QGZVFWFLSA-N 1 0 347.480 3.469 10 10 EGCERO CCS(=O)(=O)c1ccccc1CC[NH2+][C@H]1CCc2cccc(O)c21 ZINC000926909873 1327770328 /nfs/dbraw/zinc/77/03/28/1327770328.db2.gz QLXAAWGAZZHZRP-INIZCTEOSA-N 1 0 345.464 3.005 10 10 EGCERO O=C1C[C@H](CC[NH2+][C@H](CCc2ccccc2)c2ccccc2O)CN1 ZINC000926977107 1327805224 /nfs/dbraw/zinc/80/52/24/1327805224.db2.gz CKWPTHPUEPFZGK-PKOBYXMFSA-N 1 0 338.451 3.182 10 10 EGCERO CCc1noc([C@@H]2CC[C@H]([NH2+][C@@H](C)c3cc(OC)ccc3O)C2)n1 ZINC000927054738 1327832829 /nfs/dbraw/zinc/83/28/29/1327832829.db2.gz ZNYFZNQUAMRJJC-XQQFMLRXSA-N 1 0 331.416 3.333 10 10 EGCERO COc1ccc(O)c([C@H](C)[NH2+][C@H]2C[C@@](CO)(c3ccccc3)C2)c1 ZINC000927159019 1327898185 /nfs/dbraw/zinc/89/81/85/1327898185.db2.gz YKTJWDVSGUCPFP-DKICVRJWSA-N 1 0 327.424 3.144 10 10 EGCERO O=C(NCc1c(O)cccc1F)[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000928708733 1328404538 /nfs/dbraw/zinc/40/45/38/1328404538.db2.gz RSMDNGZVFFQHAV-QGZVFWFLSA-N 1 0 342.414 3.027 10 10 EGCERO Cc1c(C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)ccnc1F ZINC000862213723 1329466479 /nfs/dbraw/zinc/46/64/79/1329466479.db2.gz UGUIQNMTXMBEDV-QGZVFWFLSA-N 1 0 330.403 3.416 10 10 EGCERO C[C@@]1(C[NH2+]Cc2ccc(N3CCC(CO)CC3)cc2)CCCS1 ZINC000862275295 1329473246 /nfs/dbraw/zinc/47/32/46/1329473246.db2.gz PVWKFWCAQMGAQW-IBGZPJMESA-N 1 0 334.529 3.271 10 10 EGCERO Cc1cc(O)c(C[NH2+]Cc2c(C(F)(F)F)cnn2C)cc1Cl ZINC000862435982 1329486551 /nfs/dbraw/zinc/48/65/51/1329486551.db2.gz RSZQWOXGRXLPCZ-UHFFFAOYSA-N 1 0 333.741 3.396 10 10 EGCERO COC(=O)Cc1ccc(C[NH2+]C/C=C\c2ccc(N(C)C)cc2)cc1 ZINC000862448717 1329488578 /nfs/dbraw/zinc/48/85/78/1329488578.db2.gz YQRDPHOKXUJFNF-PLNGDYQASA-N 1 0 338.451 3.271 10 10 EGCERO CN(C)c1ccc(/C=C\C[N@@H+]2CCc3nc(C4CC4)ncc3C2)cc1 ZINC000862507371 1329492037 /nfs/dbraw/zinc/49/20/37/1329492037.db2.gz BRCKZAVUKZTJQH-ARJAWSKDSA-N 1 0 334.467 3.492 10 10 EGCERO CC[C@H](N[C@@H]1CC[NH2+][C@H]1CC)c1cc(Br)ccc1O ZINC000863543183 1329561951 /nfs/dbraw/zinc/56/19/51/1329561951.db2.gz LQDYVOBMGBDIKX-MELADBBJSA-N 1 0 327.266 3.336 10 10 EGCERO CN(C)c1ccc(/C=C/CN2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1 ZINC000863646416 1329570300 /nfs/dbraw/zinc/57/03/00/1329570300.db2.gz SJUUBDHXIPJZGB-JUPLKNRCSA-N 1 0 341.421 3.225 10 10 EGCERO COc1ccc(N2CC[C@@H](C[NH2+]Cc3cncc(OC)c3C)C2)cc1 ZINC000865608929 1329719330 /nfs/dbraw/zinc/71/93/30/1329719330.db2.gz PLNFBYNOIFTCMR-INIZCTEOSA-N 1 0 341.455 3.023 10 10 EGCERO C[C@@H]([NH2+]CC[C@H]1CCSC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000866403821 1330107217 /nfs/dbraw/zinc/10/72/17/1330107217.db2.gz WQHCPQRVEZISBW-CABCVRRESA-N 1 0 338.492 3.456 10 10 EGCERO CCOC(=O)c1cc(C[NH2+][C@@H](CC)c2cc(Cl)ccc2O)on1 ZINC000866515304 1330120716 /nfs/dbraw/zinc/12/07/16/1330120716.db2.gz GNXDCZAVFWXQHV-ZDUSSCGKSA-N 1 0 338.791 3.451 10 10 EGCERO CCN(C)c1ccc([C@@H](C)[NH2+]C[C@H]2CC3(CO2)CCOCC3)cc1 ZINC000866531827 1330122649 /nfs/dbraw/zinc/12/26/49/1330122649.db2.gz HXXFCZTUTADFRU-VQIMIIECSA-N 1 0 332.488 3.379 10 10 EGCERO CC[C@H](C)[C@H](C)[N@H+](CC(=O)NCc1ccc(N(C)C)cc1)C1CC1 ZINC001190913674 1367381562 /nfs/dbraw/zinc/38/15/62/1367381562.db2.gz NCBCLETYXHJQID-HOTGVXAUSA-N 1 0 331.504 3.268 10 10 EGCERO COc1ccc(N2CC[NH+](C[C@H]3CCCC(C)(C)O3)CC2)cc1F ZINC001192107447 1367689677 /nfs/dbraw/zinc/68/96/77/1367689677.db2.gz ICABEGVJFDVQDH-MRXNPFEDSA-N 1 0 336.451 3.304 10 10 EGCERO CC[C@@H]([NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1)[C@@H]1CCCCO1 ZINC001118390575 1371172228 /nfs/dbraw/zinc/17/22/28/1371172228.db2.gz VWQLPNDZUOQGKW-QUCCMNQESA-N 1 0 349.494 3.015 10 10 EGCERO Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2[NH2+]CC(C)(C)C(=O)N1CCCC1 ZINC001118808608 1371233796 /nfs/dbraw/zinc/23/37/96/1371233796.db2.gz TVMAFBSFFBSZFI-GJZGRUSLSA-N 1 0 330.472 3.487 10 10 EGCERO CC(C)(CNC(=O)c1cc2cc(O)c(O)cc2s1)[NH+]1CCCCC1 ZINC001135261852 1377008744 /nfs/dbraw/zinc/00/87/44/1377008744.db2.gz GRDLKCGKJYQTJQ-UHFFFAOYSA-N 1 0 348.468 3.307 10 10 EGCERO COc1ccc(C[NH2+]CCC[C@@H](C)NC(=O)CC(F)(F)F)cc1C ZINC001283134129 1378741693 /nfs/dbraw/zinc/74/16/93/1378741693.db2.gz GXZUCLGPFSSRDE-CYBMUJFWSA-N 1 0 346.393 3.331 10 10 EGCERO CC(C)=CC[NH2+][C@@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)[C@H]1C ZINC001283937397 1379287290 /nfs/dbraw/zinc/28/72/90/1379287290.db2.gz CEPFTIUBRZTNCM-XJKSGUPXSA-N 1 0 343.431 3.008 10 10 EGCERO C=C/C(C)=C\CC(=O)N1C[C@H]([NH2+]Cc2ccc(OC)c(C)c2)[C@@H](C)C1 ZINC001327907416 1388622062 /nfs/dbraw/zinc/62/20/62/1388622062.db2.gz WEYIHZGEAOVMIL-GYDVSUITSA-N 1 0 342.483 3.463 10 10 EGCERO Cc1cc(C[N@@H+]2CCN(C)[C@@H](Cc3ccccc3)C2)ccc1N(C)C ZINC001307747572 1384025454 /nfs/dbraw/zinc/02/54/54/1384025454.db2.gz BQGHUCFXHPYQDM-NRFANRHFSA-N 1 0 337.511 3.420 10 10 EGCERO C[C@@H]1CCN(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)C[C@H]1C ZINC001313410051 1384416478 /nfs/dbraw/zinc/41/64/78/1384416478.db2.gz DGSFDVRWTVEOKM-GPMSIDNRSA-N 1 0 346.519 3.043 10 10 EGCERO CC[C@@H]1C[C@@H](C)CN1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001313410100 1384416544 /nfs/dbraw/zinc/41/65/44/1384416544.db2.gz DMVPDHAUUKSBCA-SUMDDJOVSA-N 1 0 346.519 3.185 10 10 EGCERO COc1ccc(C[NH2+][C@@H](C)CNC(=O)c2sccc2F)cc1C ZINC001317233472 1385010391 /nfs/dbraw/zinc/01/03/91/1385010391.db2.gz CBAQKMCQOOGVML-LBPRGKRZSA-N 1 0 336.432 3.112 10 10 EGCERO COc1ccc(C[NH2+]C[C@@H](CC(C)C)NC(=O)C(C)(F)F)cc1C ZINC001319596681 1386197277 /nfs/dbraw/zinc/19/72/77/1386197277.db2.gz PBESLNCJASFWHB-OAHLLOKOSA-N 1 0 342.430 3.279 10 10 EGCERO COc1ccc(C[C@H](C)[N@H+](C)Cc2cc3c(cc2O)OCO3)cc1 ZINC001319948825 1386412136 /nfs/dbraw/zinc/41/21/36/1386412136.db2.gz URWFLGCNSJBFTL-ZDUSSCGKSA-N 1 0 329.396 3.193 10 10 EGCERO CC(C)=CC[NH2+][C@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)C(C)C ZINC001319969072 1386426249 /nfs/dbraw/zinc/42/62/49/1386426249.db2.gz VYEPSEHASYKROP-MRXNPFEDSA-N 1 0 345.447 3.159 10 10 EGCERO COc1ccc(C[NH2+]C[C@H](C)NC(=O)c2ccc(C)s2)cc1C ZINC001321779095 1386982503 /nfs/dbraw/zinc/98/25/03/1386982503.db2.gz KIGRABUQPANCBO-ZDUSSCGKSA-N 1 0 332.469 3.282 10 10 EGCERO COc1ccc(C[NH2+]C[C@@H](C)CNC(=O)Cc2ccsc2)cc1C ZINC001698741634 1406392259 /nfs/dbraw/zinc/39/22/59/1406392259.db2.gz LZHXLGHERTUDTG-CQSZACIVSA-N 1 0 346.496 3.150 10 10 EGCERO COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)c2ccc(Cl)[nH]2)cc1C ZINC001331547437 1389794710 /nfs/dbraw/zinc/79/47/10/1389794710.db2.gz NNNCSYYNLNPDET-ZDUSSCGKSA-N 1 0 349.862 3.235 10 10 EGCERO Cc1ccc(O)c2c1[C@@H](C)C[C@H]2[NH2+]CCC1(CS(C)(=O)=O)CC1 ZINC001346857457 1390982713 /nfs/dbraw/zinc/98/27/13/1390982713.db2.gz AGMUOBIBECYVLR-UONOGXRCSA-N 1 0 337.485 3.053 10 10 EGCERO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001352943112 1391889635 /nfs/dbraw/zinc/88/96/35/1391889635.db2.gz AQMHUYKWZTVTEM-LJQANCHMSA-N 1 0 331.504 3.362 10 10 EGCERO c1cc(N2CCCC2)ccc1C[NH2+]C[C@H]1CCC2(CCOCC2)CO1 ZINC001353559182 1392039343 /nfs/dbraw/zinc/03/93/43/1392039343.db2.gz FCESYPXYIWHZRQ-HXUWFJFHSA-N 1 0 344.499 3.352 10 10 EGCERO CN(C)c1ccc([C@H](CNC(=O)NC2CCC=CCC2)[NH+](C)C)cc1 ZINC001479354313 1392224013 /nfs/dbraw/zinc/22/40/13/1392224013.db2.gz BJMLLBBKDXTBFI-IBGZPJMESA-N 1 0 344.503 3.153 10 10 EGCERO CN(C)c1ccc([C@@H](CNC(=O)N(C)C[C@@H]2CC2(C)C)[NH+](C)C)cc1 ZINC001479532830 1392272570 /nfs/dbraw/zinc/27/25/70/1392272570.db2.gz DIUPIFGEAOKXJK-FUHWJXTLSA-N 1 0 346.519 3.043 10 10 EGCERO COc1ccc(C[NH2+][C@H](CNC(=O)/C=C(/C)C2CC2)C2CC2)cc1C ZINC001490636658 1394287504 /nfs/dbraw/zinc/28/75/04/1394287504.db2.gz DPGWPZIXWIVKQY-KWRJMZDGSA-N 1 0 342.483 3.344 10 10 EGCERO C[C@@H]1CCC(C)(C)N1C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001687807803 1396498831 /nfs/dbraw/zinc/49/88/31/1396498831.db2.gz VZLPTJNENCZNPQ-CRAIPNDOSA-N 1 0 346.519 3.328 10 10 EGCERO C[C@@H](NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C)C(C)(C)C ZINC001687807811 1396499042 /nfs/dbraw/zinc/49/90/42/1396499042.db2.gz WBVVQJFYZFSAHW-PBHICJAKSA-N 1 0 334.508 3.089 10 10 EGCERO C/C=C(/C)C(=O)N[C@@H]1CCC[C@@H]1C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001699014380 1406845616 /nfs/dbraw/zinc/84/56/16/1406845616.db2.gz MOCQJNRHLIEGIO-OWSOAGIPSA-N 1 0 330.472 3.344 10 10 EGCERO COc1ccc(C[NH2+]CCN(C)C(=O)c2cccc(F)c2F)cc1C ZINC001691453446 1405278236 /nfs/dbraw/zinc/27/82/36/1405278236.db2.gz BROBWBXYBSWBKP-UHFFFAOYSA-N 1 0 348.393 3.144 10 10 EGCERO COc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)[C@H]2CC=CCC2)cc1C ZINC001732409744 1428570407 /nfs/dbraw/zinc/57/04/07/1428570407.db2.gz WVVCXPVUNKVMFR-WMZOPIPTSA-N 1 0 330.472 3.296 10 10 EGCERO CC[C@@H](F)C(=O)N1CC[C@H](CC[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001700074155 1413488259 /nfs/dbraw/zinc/48/82/59/1413488259.db2.gz GGCXXVFAXLBFQA-DOTOQJQBSA-N 1 0 336.451 3.080 10 10 EGCERO COc1ccc(C[NH2+]CCC[C@H](C)NC(=O)c2cc[nH]c2)cc1C ZINC001700662205 1414321680 /nfs/dbraw/zinc/32/16/80/1414321680.db2.gz NFTXHYOHRHRKAW-HNNXBMFYSA-N 1 0 329.444 3.020 10 10 EGCERO CCN(CC[NH2+]CC1CCCC1)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001732813900 1428991527 /nfs/dbraw/zinc/99/15/27/1428991527.db2.gz UGRLKOKZISSGJM-UHFFFAOYSA-N 1 0 345.447 3.091 10 10 EGCERO COc1ccc(C[NH2+]C[C@H](C)NC(=O)c2ccc(C)c(F)c2)cc1C ZINC001733003621 1429124765 /nfs/dbraw/zinc/12/47/65/1429124765.db2.gz GGPUCEJAGBFIIH-HNNXBMFYSA-N 1 0 344.430 3.359 10 10 EGCERO COc1ccc(C[NH2+][C@@H](C)CNC(=O)[C@@H]2CC[C@@H]3C[C@@H]3CC2)cc1C ZINC001713326604 1417951609 /nfs/dbraw/zinc/95/16/09/1417951609.db2.gz CBRYREUGTGRYOL-DSLXNQLJSA-N 1 0 344.499 3.424 10 10 EGCERO COc1ccc(C[NH2+]CCN(C)C(=O)C[C@H](C)C(F)(F)F)cc1C ZINC001713629429 1418401306 /nfs/dbraw/zinc/40/13/06/1418401306.db2.gz BKEZGWDMDRNEFA-ZDUSSCGKSA-N 1 0 346.393 3.140 10 10 EGCERO COc1ccc(C[NH2+]CCN(C)C(=O)Cc2ccccc2C)cc1C ZINC001714790235 1419509959 /nfs/dbraw/zinc/50/99/59/1419509959.db2.gz AUDPJFHGCFACBN-UHFFFAOYSA-N 1 0 340.467 3.103 10 10 EGCERO COc1ccc(C[NH2+]CC[C@H](C)NC(=O)[C@@H](C)C(C)(F)F)cc1C ZINC001715685841 1420294161 /nfs/dbraw/zinc/29/41/61/1420294161.db2.gz VKKZPWGTJCUHIZ-UONOGXRCSA-N 1 0 342.430 3.279 10 10 EGCERO COc1ccc(C[NH2+]CC[C@@H](C)NC(=O)c2cc(C)[nH]c2C)cc1C ZINC001715685790 1420294291 /nfs/dbraw/zinc/29/42/91/1420294291.db2.gz LWTCQWVCEDUOBG-CQSZACIVSA-N 1 0 343.471 3.247 10 10 EGCERO CCN(CC[NH2+]Cc1ccc(OC)c(C)c1)C(=O)[C@@H](C)n1cccc1 ZINC001715724473 1420312113 /nfs/dbraw/zinc/31/21/13/1420312113.db2.gz BGGONIBHLUDYNK-QGZVFWFLSA-N 1 0 343.471 3.004 10 10 EGCERO COc1ccc(C[NH2+]CC[C@H](C)NC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)cc1C ZINC001716128821 1420536014 /nfs/dbraw/zinc/53/60/14/1420536014.db2.gz QEDGMJDXQZTOOJ-WOGUSJMUSA-N 1 0 344.499 3.424 10 10 EGCERO CCN(CC[NH2+]Cc1ccc(OC)c(C)c1)C(=O)C[C@@H]1CC[C@@H]2C[C@@H]21 ZINC001716226286 1420572457 /nfs/dbraw/zinc/57/24/57/1420572457.db2.gz XJFPVEMPUVWECY-QYZOEREBSA-N 1 0 344.499 3.378 10 10 EGCERO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)c2cc(C)oc2C)cc1C ZINC001716391456 1420629886 /nfs/dbraw/zinc/62/98/86/1420629886.db2.gz HNUBNGBBTLHVLT-CYBMUJFWSA-N 1 0 330.428 3.122 10 10 EGCERO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)c2ccc(F)c(C)c2)cc1C ZINC001716409646 1420640167 /nfs/dbraw/zinc/64/01/67/1420640167.db2.gz LECGLSWBCSVKPE-OAHLLOKOSA-N 1 0 344.430 3.359 10 10 EGCERO COc1ccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)c2ccc(C)nc2)cc1C ZINC001725079419 1425517733 /nfs/dbraw/zinc/51/77/33/1425517733.db2.gz IPKJKVWMDCHEBC-HZPDHXFCSA-N 1 0 341.455 3.004 10 10 EGCERO COc1ccc(C[NH2+][C@H](C)CNC(=O)c2cc(C(C)C)on2)cc1C ZINC001731607903 1427653547 /nfs/dbraw/zinc/65/35/47/1427653547.db2.gz HSUFCENVYDPSHH-CQSZACIVSA-N 1 0 345.443 3.023 10 10 EGCERO CN(C)c1ccc(C2=CCN(Cc3nc(-c4ccco4)no3)C2)cc1 ZINC000095454729 218398523 /nfs/dbraw/zinc/39/85/23/218398523.db2.gz QSLQGTLWRWMDJW-UHFFFAOYSA-N 1 0 336.395 3.295 10 10 EGCERO CCCOc1ccc(C[N@@H+]2CC[C@@H](C)[C@@H](n3ccnc3)C2)c(O)c1 ZINC000245754071 455373881 /nfs/dbraw/zinc/37/38/81/455373881.db2.gz HJLXZKVRWGRMDC-QAPCUYQASA-N 1 0 329.444 3.461 10 10 EGCERO C[C@H]([NH2+]Cc1cccc2c1OCO2)c1ccc(N2CCOCC2)cc1 ZINC000071831072 454227008 /nfs/dbraw/zinc/22/70/08/454227008.db2.gz DJYXVPWTQNELJF-HNNXBMFYSA-N 1 0 340.423 3.103 10 10 EGCERO CC(=O)N1CC[C@H]([NH2+]Cc2ccc(N3CCCCCC3)cc2)[C@@H](C)C1 ZINC000089937494 454241061 /nfs/dbraw/zinc/24/10/61/454241061.db2.gz WBEGZDSPKJZTFM-UWJYYQICSA-N 1 0 343.515 3.414 10 10 EGCERO c1cc(N2CCOCC2)ccc1C[NH2+][C@@H]1CCOC2(CCCC2)C1 ZINC000136678650 454752125 /nfs/dbraw/zinc/75/21/25/454752125.db2.gz DATUMMUBTVOAHK-GOSISDBHSA-N 1 0 330.472 3.105 10 10 EGCERO O=C(C1CC[NH+](Cc2ccccc2O)CC1)N1CCc2ccccc21 ZINC000179563766 455058948 /nfs/dbraw/zinc/05/89/48/455058948.db2.gz WECMRLRWXWSQJR-UHFFFAOYSA-N 1 0 336.435 3.194 10 10 EGCERO O=C(C1CC[NH+](Cc2cc(F)ccc2O)CC1)N1CCCCCC1 ZINC000179890163 455095058 /nfs/dbraw/zinc/09/50/58/455095058.db2.gz VKDNOOCGXWQKQN-UHFFFAOYSA-N 1 0 334.435 3.146 10 10 EGCERO CCCC(=O)NC[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(C)c2O)C1 ZINC000179931970 455100702 /nfs/dbraw/zinc/10/07/02/455100702.db2.gz UIJMUWZHUNRZFE-AWEZNQCLSA-N 1 0 338.879 3.482 10 10 EGCERO Cc1cc(Cl)cc(C[N@@H+](C)[C@@H]2CCCN(c3cccnn3)C2)c1O ZINC000180079344 455128524 /nfs/dbraw/zinc/12/85/24/455128524.db2.gz DEXCHDYXGFPXCI-MRXNPFEDSA-N 1 0 346.862 3.245 10 10 EGCERO COc1ccc(N2CCC([NH2+]CCN3CCCC[C@H]3C)CC2)cc1 ZINC000156620612 455139451 /nfs/dbraw/zinc/13/94/51/455139451.db2.gz WILHVHXQEXCTTD-QGZVFWFLSA-N 1 0 331.504 3.128 10 10 EGCERO CC[C@H]([NH2+]C[C@H]1C[C@H](O)CN1Cc1ccccc1)c1ccccc1O ZINC000156969543 455159396 /nfs/dbraw/zinc/15/93/96/455159396.db2.gz DNXXRWPHJRBGTL-HBFSDRIKSA-N 1 0 340.467 3.068 10 10 EGCERO CCOc1ccc(O)c(C[NH2+]Cc2ccn(Cc3ccccc3)n2)c1 ZINC000284218181 455652903 /nfs/dbraw/zinc/65/29/03/455652903.db2.gz ZWDYAHSHPUTSIO-UHFFFAOYSA-N 1 0 337.423 3.326 10 10 EGCERO C[C@H]([NH2+][C@@H]1CCN(Cc2ccccn2)C[C@@H]1C)c1ccccc1O ZINC000248384282 455710082 /nfs/dbraw/zinc/71/00/82/455710082.db2.gz DHPKXFIATQNYQP-TXPKVOOTSA-N 1 0 325.456 3.348 10 10 EGCERO CC(C)c1nnc2n1C[C@H]([NH2+][C@@H](C)c1cc(Cl)ccc1O)CC2 ZINC000186293150 455736308 /nfs/dbraw/zinc/73/63/08/455736308.db2.gz DOEOXSWPCYNDFD-WCQYABFASA-N 1 0 334.851 3.426 10 10 EGCERO Cc1nocc1C[NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000293684669 455794348 /nfs/dbraw/zinc/79/43/48/455794348.db2.gz VXLZUYNQUFVLFW-CQSZACIVSA-N 1 0 337.370 3.343 10 10 EGCERO Cc1cc(N2CCC[C@@H]([NH2+][C@H](C)c3ccc(C)c(C)c3O)C2)n(C)n1 ZINC000278544429 455839869 /nfs/dbraw/zinc/83/98/69/455839869.db2.gz VFATYWCUYDXHAI-IAGOWNOFSA-N 1 0 342.487 3.371 10 10 EGCERO C[C@](CO)([NH2+]Cc1ccccc1O)c1ccc(Br)cc1 ZINC000285673183 455894407 /nfs/dbraw/zinc/89/44/07/455894407.db2.gz ZWPYBHCOPSLYQV-MRXNPFEDSA-N 1 0 336.229 3.152 10 10 EGCERO CC(C)(C)OC(=O)N1CC[C@@H](C[NH2+][C@H]2CCc3cccc(O)c32)C1 ZINC000296270227 455896476 /nfs/dbraw/zinc/89/64/76/455896476.db2.gz CCKHKJFPYNGRLE-ZFWWWQNUSA-N 1 0 332.444 3.226 10 10 EGCERO Cc1cccnc1CC[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000296650464 456001276 /nfs/dbraw/zinc/00/12/76/456001276.db2.gz YVVFIKPSUMLVIR-MRXNPFEDSA-N 1 0 343.446 3.259 10 10 EGCERO CCCN(CCC)c1ccc(C[N@H+](C)CC2(O)CCOCC2)cc1 ZINC000188834970 456147863 /nfs/dbraw/zinc/14/78/63/456147863.db2.gz UGDWNVUIPNTRGN-UHFFFAOYSA-N 1 0 334.504 3.286 10 10 EGCERO CNC(=O)C1CCC([NH2+][C@H](C)c2cc3c(cc2O)CCCC3)CC1 ZINC000273361020 456225497 /nfs/dbraw/zinc/22/54/97/456225497.db2.gz AHBIIQGJPZYHTM-TUBUQKNSSA-N 1 0 330.472 3.226 10 10 EGCERO CCOc1ccc(O)c(C[NH2+][C@H]2CCOc3ccc(OC)cc32)c1 ZINC000274226992 456252776 /nfs/dbraw/zinc/25/27/76/456252776.db2.gz DBXSASWREMWZMH-KRWDZBQOSA-N 1 0 329.396 3.413 10 10 EGCERO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@@H]2CC[C@@H]2C)C1 ZINC000356749349 457148079 /nfs/dbraw/zinc/14/80/79/457148079.db2.gz OTQLCXJKGKVWNI-MAUKXSAKSA-N 1 0 339.483 3.323 10 10 EGCERO COc1ccc(O)c(C[N@@H+]2CCC[C@@]3(C2)OCc2ccccc23)c1 ZINC000363949234 457465823 /nfs/dbraw/zinc/46/58/23/457465823.db2.gz HAYQAIKLIZQBOY-FQEVSTJZSA-N 1 0 325.408 3.422 10 10 EGCERO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCc3cnn(C(C)C)c3C2)c1 ZINC000364769735 457690373 /nfs/dbraw/zinc/69/03/73/457690373.db2.gz LZIJQEVPNAXXIV-DZGCQCFKSA-N 1 0 329.444 3.386 10 10 EGCERO Oc1ccc2ccccc2c1C[NH+]1CCC(Oc2cnccn2)CC1 ZINC000365828988 457778097 /nfs/dbraw/zinc/77/80/97/457778097.db2.gz HESFDTJGZNAKPZ-UHFFFAOYSA-N 1 0 335.407 3.379 10 10 EGCERO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCCCC2)C1 ZINC000443856101 457816837 /nfs/dbraw/zinc/81/68/37/457816837.db2.gz GQFQHVWPWNXDSR-UHFFFAOYSA-N 1 0 339.483 3.420 10 10 EGCERO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NC2CCC2)C1 ZINC000444182404 457864113 /nfs/dbraw/zinc/86/41/13/457864113.db2.gz LNXMZMFUUPHYHN-UHFFFAOYSA-N 1 0 325.456 3.077 10 10 EGCERO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NC(C)(C)C)C1 ZINC000435659973 458179259 /nfs/dbraw/zinc/17/92/59/458179259.db2.gz QFLBJWOLDTVQAI-UHFFFAOYSA-N 1 0 327.472 3.323 10 10 EGCERO CCn1ncc(C[NH2+][C@H](CCc2ccccc2)c2ccccc2O)n1 ZINC000527925558 459774035 /nfs/dbraw/zinc/77/40/35/459774035.db2.gz VDINBRUCVMOFFH-LJQANCHMSA-N 1 0 336.439 3.467 10 10 EGCERO CC1(N2CCOCC2)CC[NH+](Cc2c(O)ccc3ccccc32)CC1 ZINC000529664518 459833074 /nfs/dbraw/zinc/83/30/74/459833074.db2.gz PTIOIDUMTAVXRF-UHFFFAOYSA-N 1 0 340.467 3.232 10 10 EGCERO CC[C@H]([NH2+][C@@H]1CCCN(c2cnn(C)c2)C1)c1ccc(C)cc1O ZINC000365581614 547777012 /nfs/dbraw/zinc/77/70/12/547777012.db2.gz PYHHGUVHNURVTK-QAPCUYQASA-N 1 0 328.460 3.144 10 10 EGCERO CCOCC[N@H+](CC)Cc1c(O)c(C(=O)OC)cc2ccccc21 ZINC000730802004 575022076 /nfs/dbraw/zinc/02/20/76/575022076.db2.gz BZOHUCHNPBIRDT-UHFFFAOYSA-N 1 0 331.412 3.190 10 10 EGCERO COc1ccc(C[NH+]2CCC(NC(=O)C3CCCCC3)CC2)c(O)c1 ZINC000092644847 1292881598 /nfs/dbraw/zinc/88/15/98/1292881598.db2.gz UORYKFNASLHWEB-UHFFFAOYSA-N 1 0 346.471 3.062 10 10 EGCERO COCc1ccc(C[NH+]2CCN(c3ccc(OC)cc3)CC2)cc1 ZINC000179530277 1294802168 /nfs/dbraw/zinc/80/21/68/1294802168.db2.gz OOKQBAXDROSXTE-UHFFFAOYSA-N 1 0 326.440 3.164 10 10 EGCERO CC(=O)c1cc(F)cc(C[NH+]2CCC3(CC[NH+](C)CC3)CC2)c1O ZINC000879248716 1300452990 /nfs/dbraw/zinc/45/29/90/1300452990.db2.gz YNSJJRDJNNLLPJ-UHFFFAOYSA-N 1 0 334.435 3.042 10 10 EGCERO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N(C)CCCF)C1 ZINC000895297046 1309274473 /nfs/dbraw/zinc/27/44/73/1309274473.db2.gz JBDJQNRCJKCXNB-UHFFFAOYSA-N 1 0 345.462 3.226 10 10 EGCERO CN(CCCC[NH+]1CCCCC1)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC000899228585 1310988619 /nfs/dbraw/zinc/98/86/19/1310988619.db2.gz JFRZLOWSMHPVCZ-UHFFFAOYSA-N 1 0 345.447 3.187 10 10 EGCERO COc1ccc(N2CCC[N@H+](C[C@H]3C[C@@H]4[C@H](C3)C4(F)F)CC2)cc1 ZINC000929315973 1328565759 /nfs/dbraw/zinc/56/57/59/1328565759.db2.gz NTQNGBAKZOTKJY-GBEXYDAJSA-N 1 0 336.426 3.499 10 10 EGCERO C[C@@H]([NH2+][C@@H]1c2ccccc2CN(C)C1=O)c1ccc(Cl)cc1O ZINC000857877007 1328612761 /nfs/dbraw/zinc/61/27/61/1328612761.db2.gz LDBBYCJQLBFBGV-PIGZYNQJSA-N 1 0 330.815 3.410 10 10 EGCERO Cc1cncc(/C=C/C(=O)N2C[C@H]([NH+](C)C)CCc3ccccc32)c1 ZINC000857928904 1328630380 /nfs/dbraw/zinc/63/03/80/1328630380.db2.gz VONGHIIAXJFRQX-UFUQCMIWSA-N 1 0 335.451 3.313 10 10 EGCERO CCC[N@@H+](Cc1ccccc1O)C[C@@H](O)CC[C@H](O)c1ccccc1 ZINC000929753632 1328688311 /nfs/dbraw/zinc/68/83/11/1328688311.db2.gz SYOCLHUYDZEXLI-FPOVZHCZSA-N 1 0 343.467 3.479 10 10 EGCERO CC(C)c1noc(CCC[NH2+]Cc2cc(F)c(N(C)C)cc2F)n1 ZINC000858124924 1328689417 /nfs/dbraw/zinc/68/94/17/1328689417.db2.gz UHMRZRQAFIZTOS-UHFFFAOYSA-N 1 0 338.402 3.260 10 10 EGCERO CN(Cc1cccs1)c1ccc(C[NH2+]C[C@H](O)[C@H]2CCCO2)cc1 ZINC000858226694 1328715787 /nfs/dbraw/zinc/71/57/87/1328715787.db2.gz QECMJRLSUOXJLF-RBUKOAKNSA-N 1 0 346.496 3.014 10 10 EGCERO CN(Cc1cccs1)c1ccc(C[NH2+]C[C@@H](O)[C@H]2CCCO2)cc1 ZINC000858226695 1328715837 /nfs/dbraw/zinc/71/58/37/1328715837.db2.gz QECMJRLSUOXJLF-RTBURBONSA-N 1 0 346.496 3.014 10 10 EGCERO Oc1ccccc1[C@H](CCc1ccccc1)[NH2+]C[C@H](O)[C@@H]1CCCO1 ZINC000858470350 1328770652 /nfs/dbraw/zinc/77/06/52/1328770652.db2.gz YVEXQXTXVALCOL-JBACZVJFSA-N 1 0 341.451 3.196 10 10 EGCERO COC(=O)c1cc2ccccc2c(C[N@H+](C)C[C@@H]2CCCCO2)c1O ZINC000918736900 1321987874 /nfs/dbraw/zinc/98/78/74/1321987874.db2.gz XSAVLUKUZCMVSI-HNNXBMFYSA-N 1 0 343.423 3.333 10 10 EGCERO COC(=O)[C@H](C)Oc1ccccc1C[NH2+][C@@H](C)c1ccccc1O ZINC000922328959 1322502746 /nfs/dbraw/zinc/50/27/46/1322502746.db2.gz KHNQXJMVOJVRQC-KBPBESRZSA-N 1 0 329.396 3.183 10 10 EGCERO CN(C)c1ccc(C[NH2+]CCOC2CCOCC2)c(C(F)(F)F)c1 ZINC000922935520 1322653669 /nfs/dbraw/zinc/65/36/69/1322653669.db2.gz WGRRQVMZLUGLAE-UHFFFAOYSA-N 1 0 346.393 3.057 10 10 EGCERO CCN(CC)c1ccc(C[NH2+]C[C@H]2CCN2C2CCOCC2)cc1F ZINC000922950019 1322657670 /nfs/dbraw/zinc/65/76/70/1322657670.db2.gz ABMMQSGAHMKSBO-GOSISDBHSA-N 1 0 349.494 3.015 10 10 EGCERO CC[C@H](C[C@@](C)(O)CC)[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000924760654 1323148473 /nfs/dbraw/zinc/14/84/73/1323148473.db2.gz REHNTQIAMZSBFV-CTNGQTDRSA-N 1 0 348.531 3.315 10 10 EGCERO Cc1cc(Cl)cc([C@H](C)[NH2+]CCCCCN2CC[NH2+]CC2)c1O ZINC000925846464 1325326438 /nfs/dbraw/zinc/32/64/38/1325326438.db2.gz NRFJWKMDYZYOGI-HNNXBMFYSA-N 1 0 339.911 3.080 10 10 EGCERO COc1ccc(N2CC[C@H](C[NH2+][C@@H]3CCCN4CCCC[C@@H]34)C2)cc1 ZINC000926610710 1327634106 /nfs/dbraw/zinc/63/41/06/1327634106.db2.gz FKEYJRLYPCPFIC-UIFIKXQLSA-N 1 0 343.515 3.128 10 10 EGCERO COc1ccc(N2CC[C@H](C[NH2+][C@@H](C3CC3)[C@H]3CCCOC3)C2)cc1 ZINC000926609998 1327634321 /nfs/dbraw/zinc/63/43/21/1327634321.db2.gz BTAPMOZUNDEBCQ-MMOPVJDHSA-N 1 0 344.499 3.316 10 10 EGCERO COc1ccc(N2CC[C@H](C[NH2+][C@@H]3CCCN4CCCC[C@H]34)C2)cc1 ZINC000926610701 1327634777 /nfs/dbraw/zinc/63/47/77/1327634777.db2.gz FKEYJRLYPCPFIC-DUXKGJEZSA-N 1 0 343.515 3.128 10 10 EGCERO COc1ccc(N2CC[C@@H](C[NH2+]C3CC4(C3)CO[C@H](C)C4)C2)cc1 ZINC000926611326 1327634903 /nfs/dbraw/zinc/63/49/03/1327634903.db2.gz KLTLZADBSYAKMN-JFBVMJNESA-N 1 0 330.472 3.069 10 10 EGCERO C[C@H]([NH2+]CC(C)(C)CS(C)(=O)=O)c1ccc2ccccc2c1O ZINC000926952574 1327792638 /nfs/dbraw/zinc/79/26/38/1327792638.db2.gz BDSKBQIVYVTQFT-ZDUSSCGKSA-N 1 0 335.469 3.267 10 10 EGCERO CCO[C@@H](C[NH2+][C@H](C)c1ccc(N2CCCCC2)cc1)CN(C)C ZINC000926961516 1327798942 /nfs/dbraw/zinc/79/89/42/1327798942.db2.gz JKRLREYEBQINDA-XLIONFOSSA-N 1 0 333.520 3.294 10 10 EGCERO Oc1cccc(Br)c1C[N@@H+]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000862253262 1329471999 /nfs/dbraw/zinc/47/19/99/1329471999.db2.gz KPJPUXAVTITJBI-OLZOCXBDSA-N 1 0 340.261 3.403 10 10 EGCERO Cc1cc(Br)cc(C[NH2+][C@@H]2CO[C@@H](C3CC3)C2)c1O ZINC000862529870 1329492630 /nfs/dbraw/zinc/49/26/30/1329492630.db2.gz QNVRGVIXVVDGBU-UONOGXRCSA-N 1 0 326.234 3.120 10 10 EGCERO COc1ccc(N2CC[C@@H]([NH2+]Cc3cnc(Cl)c(F)c3)C2)cc1 ZINC000865622384 1329721675 /nfs/dbraw/zinc/72/16/75/1329721675.db2.gz UIISZJAPBJOBRH-CYBMUJFWSA-N 1 0 335.810 3.251 10 10 EGCERO COc1cc(C[NH2+][C@H]2[C@@H]3OC[C@@H]4C[C@H]2C[C@@H]43)c(O)c(C(C)(C)C)c1 ZINC000865696879 1329730267 /nfs/dbraw/zinc/73/02/67/1329730267.db2.gz UVYMHEAZSZMDGX-JGIHGRDNSA-N 1 0 331.456 3.211 10 10 EGCERO Oc1cccc(Br)c1C[NH2+]C[C@@H]1C[C@H]1C1CCOCC1 ZINC000865783557 1329738021 /nfs/dbraw/zinc/73/80/21/1329738021.db2.gz QKXRYDFWGKVWRA-STQMWFEESA-N 1 0 340.261 3.307 10 10 EGCERO CC(=O)NCC1CCC([NH2+][C@@H](C)Cc2ccc(N(C)C)cc2C)CC1 ZINC000866375242 1330103585 /nfs/dbraw/zinc/10/35/85/1330103585.db2.gz SJIGVXGGJKHVCW-VQSBYGRUSA-N 1 0 345.531 3.277 10 10 EGCERO CC[C@H]([NH2+]C[C@H]1CC2(CO1)CCOCC2)c1ccc(N(C)C)cc1 ZINC000866530896 1330122688 /nfs/dbraw/zinc/12/26/88/1330122688.db2.gz BTYWGRPBIRSFLD-MOPGFXCFSA-N 1 0 332.488 3.379 10 10 EGCERO CC[C@H]([NH2+]Cc1ccc(CN2CCNC2=O)cc1)c1ccccc1O ZINC000866575727 1330129082 /nfs/dbraw/zinc/12/90/82/1330129082.db2.gz COXMZWSBVVSHRK-SFHVURJKSA-N 1 0 339.439 3.158 10 10 EGCERO COc1ccc(C[NH2+]C2(CNC(=O)C[C@@H]3CC[C@@H]4C[C@@H]43)CC2)cc1C ZINC001323480940 1387374762 /nfs/dbraw/zinc/37/47/62/1387374762.db2.gz XLKGIBSQRLRPBP-SQNIBIBYSA-N 1 0 342.483 3.178 10 10 EGCERO CCC[C@@H](C)[C@@H]1CCC[N@@H+]1CC(=O)NCc1ccc(N(C)C)cc1 ZINC001192172822 1367707512 /nfs/dbraw/zinc/70/75/12/1367707512.db2.gz DVOZIMOTBMUSLM-APWZRJJASA-N 1 0 331.504 3.269 10 10 EGCERO CN(C)c1ccc([C@@H](CNC(=O)CC2CCCCC2)[NH+](C)C)cc1 ZINC001134882598 1376765727 /nfs/dbraw/zinc/76/57/27/1376765727.db2.gz RNUOMXICNSEHPX-LJQANCHMSA-N 1 0 331.504 3.442 10 10 EGCERO COc1ccc(C[NH2+]CCC[C@@H](C)NC(=O)C2=CCCC2)cc1C ZINC001283157483 1378748030 /nfs/dbraw/zinc/74/80/30/1378748030.db2.gz VDZNFPSKVIPNHC-MRXNPFEDSA-N 1 0 330.472 3.488 10 10 EGCERO C=C/C(C)=C\CC(=O)N1C[C@H](C)[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001327907418 1388621773 /nfs/dbraw/zinc/62/17/73/1388621773.db2.gz WEYIHZGEAOVMIL-ODTIQZKESA-N 1 0 342.483 3.463 10 10 EGCERO COc1ccc(C[NH2+][C@H]2C[C@H](CNC(=O)CCC3CC3)C2)cc1C ZINC001316632145 1384495100 /nfs/dbraw/zinc/49/51/00/1384495100.db2.gz OHKHIKBXIBGVMW-IYARVYRRSA-N 1 0 330.472 3.178 10 10 EGCERO COc1ccc(C[NH2+]C2CC(CNC(=O)/C=C(/C)C3CC3)C2)cc1C ZINC001316813096 1384611830 /nfs/dbraw/zinc/61/18/30/1384611830.db2.gz DSSHKSPMRIZHOL-ZROIWOOFSA-N 1 0 342.483 3.344 10 10 EGCERO COC1CCN(c2ccc(C[N@@H+]3CCCC[C@@]34CCOC4)cc2)CC1 ZINC001176977692 1385761410 /nfs/dbraw/zinc/76/14/10/1385761410.db2.gz NLDSYVQLLGNWDC-NRFANRHFSA-N 1 0 344.499 3.447 10 10 EGCERO COc1ccc(C[NH2+]C[C@H](C)CNC(=O)c2[nH]c(C)cc2C)cc1C ZINC001319210328 1386007417 /nfs/dbraw/zinc/00/74/17/1386007417.db2.gz WUUYMPFXGVBRFS-ZDUSSCGKSA-N 1 0 343.471 3.104 10 10 EGCERO COc1ccc(C[NH2+]C[C@H](C)CNC(=O)C(C)(C)C(F)F)cc1C ZINC001319238889 1386020133 /nfs/dbraw/zinc/02/01/33/1386020133.db2.gz YBIDMLBMFNJSEJ-LBPRGKRZSA-N 1 0 342.430 3.137 10 10 EGCERO CC[C@@H](F)C(=O)NC1(C[NH2+]Cc2ccc(OC)c(C)c2)CCCC1 ZINC001698637052 1406283166 /nfs/dbraw/zinc/28/31/66/1406283166.db2.gz RPNFHUZIFOXZTA-MRXNPFEDSA-N 1 0 336.451 3.270 10 10 EGCERO CN(C)c1ccc(C[N@H+]2C[C@H]3CCC[C@@H](C2)C3O)c(C(F)(F)F)c1 ZINC001321497726 1386917078 /nfs/dbraw/zinc/91/70/78/1386917078.db2.gz ZMXQUQWPRNMTNB-VMZNBEPHSA-N 1 0 342.405 3.364 10 10 EGCERO C[C@@H](C[N@H+](C)CC1CCCC1)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001322308319 1387152786 /nfs/dbraw/zinc/15/27/86/1387152786.db2.gz WPEGLBJLLWBWJD-ZDUSSCGKSA-N 1 0 345.447 3.089 10 10 EGCERO C[C@H](C[N@H+](C)CC1CCCC1)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001322308318 1387152799 /nfs/dbraw/zinc/15/27/99/1387152799.db2.gz WPEGLBJLLWBWJD-CYBMUJFWSA-N 1 0 345.447 3.089 10 10 EGCERO Cc1ccc(O)c2c1[C@@H](C)C[C@H]2[NH2+]CC1C[C@H]2CC[C@@H](C1)S2(=O)=O ZINC001329691065 1389202924 /nfs/dbraw/zinc/20/29/24/1389202924.db2.gz UQADVXLRWHMEIZ-NIOBXDJOSA-N 1 0 349.496 3.194 10 10 EGCERO COc1ccc(C[NH2+][C@@H](CCN(C)C(=O)C2CC2)C(C)C)cc1C ZINC001329720720 1389208552 /nfs/dbraw/zinc/20/85/52/1389208552.db2.gz OESSNIXBTIVBLD-SFHVURJKSA-N 1 0 332.488 3.376 10 10 EGCERO O=c1cc[nH]c2cc(C[NH2+]Cc3ccc(N4CCCC4)cc3)ccc12 ZINC001331546428 1389794256 /nfs/dbraw/zinc/79/42/56/1389794256.db2.gz AYOIGKQTWDCDQB-UHFFFAOYSA-N 1 0 333.435 3.418 10 10 EGCERO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@@H]1Cc2ccccc2N(C)C1=O ZINC001346870612 1390983856 /nfs/dbraw/zinc/98/38/56/1390983856.db2.gz YURAZAZGPNFQIZ-VNQPRFMTSA-N 1 0 336.435 3.426 10 10 EGCERO CC[NH+](CC)CC[C@H](C)NC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC001348329586 1391206819 /nfs/dbraw/zinc/20/68/19/1391206819.db2.gz QIGCQBXRLSSOER-HNNXBMFYSA-N 1 0 342.487 3.339 10 10 EGCERO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@@H](C)C(F)F)C1 ZINC001353581850 1392043317 /nfs/dbraw/zinc/04/33/17/1392043317.db2.gz PUVMXHLTLIUVNY-ZDUSSCGKSA-N 1 0 349.425 3.178 10 10 EGCERO CC[C@@H](CNC(=O)c1cc(C)sn1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001481806935 1394540084 /nfs/dbraw/zinc/54/00/84/1394540084.db2.gz BWRBSHYOVKUZAP-HNNXBMFYSA-N 1 0 347.484 3.067 10 10 EGCERO CC[C@H](CNC(=O)C1(F)CCCC1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001481827753 1394548332 /nfs/dbraw/zinc/54/83/32/1394548332.db2.gz IVKKPJWNEGOVKV-MRXNPFEDSA-N 1 0 336.451 3.270 10 10 EGCERO COc1ccc(C[NH2+]C[C@@]2(C)CCN(C(=O)C3=CCCC3)C2)cc1C ZINC001484086526 1395243312 /nfs/dbraw/zinc/24/33/12/1395243312.db2.gz CFGAULCDRIXNLY-OAQYLSRUSA-N 1 0 342.483 3.442 10 10 EGCERO COc1ccc(C[NH2+]CCN(C)C(=O)[C@H]2CCC[C@H](C)C2)cc1C ZINC001691453953 1405278070 /nfs/dbraw/zinc/27/80/70/1405278070.db2.gz OJCBTXFTLJHFGD-YJBOKZPZSA-N 1 0 332.488 3.378 10 10 EGCERO COc1ccc(C[NH2+]CC[C@@H]2CCCN(C(=O)C3CC3)C2)cc1C ZINC001732261187 1428501182 /nfs/dbraw/zinc/50/11/82/1428501182.db2.gz IGOXCNMLLNGUQE-INIZCTEOSA-N 1 0 330.472 3.132 10 10 EGCERO COc1ccc(C[NH2+]C[C@@H](NC(=O)[C@H]2C[C@@H]2C)C2CCCC2)cc1C ZINC001699794988 1413203430 /nfs/dbraw/zinc/20/34/30/1413203430.db2.gz DTZUUDGTTOEPQG-ZOCIIQOWSA-N 1 0 344.499 3.424 10 10 EGCERO COc1ccc(C[NH2+]C2(CNC(=O)C3CC4(CC4)C3)CCC2)cc1C ZINC001700136044 1413553247 /nfs/dbraw/zinc/55/32/47/1413553247.db2.gz KDYWIRLHJNYAJV-UHFFFAOYSA-N 1 0 342.483 3.322 10 10 EGCERO COc1ccc(C[NH2+]CC2CC(NC(=O)C[C@H](C)C3CC3)C2)cc1C ZINC001700381773 1413908696 /nfs/dbraw/zinc/90/86/96/1413908696.db2.gz CLHLTLGAIQZHLO-STJZUHDESA-N 1 0 344.499 3.424 10 10 EGCERO COc1ccc(C[NH2+][C@@H](C)[C@H](C)NC(=O)c2cccs2)cc1C ZINC001700384794 1413911902 /nfs/dbraw/zinc/91/19/02/1413911902.db2.gz KADZKCWTCCXLIX-KBPBESRZSA-N 1 0 332.469 3.362 10 10 EGCERO COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)c2cc(C)c(C)o2)cc1C ZINC001700745861 1414414089 /nfs/dbraw/zinc/41/40/89/1414414089.db2.gz OKRJSVDMBASKPM-OAHLLOKOSA-N 1 0 344.455 3.464 10 10 EGCERO COc1ccc(C[NH2+]C/C=C/CNC(=O)c2[nH]c(C)cc2C)cc1C ZINC001732868237 1429018626 /nfs/dbraw/zinc/01/86/26/1429018626.db2.gz LNXDOBOOFHILHN-AATRIKPKSA-N 1 0 341.455 3.024 10 10 EGCERO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)c2conc2C(C)C)cc1C ZINC001732957954 1429081975 /nfs/dbraw/zinc/08/19/75/1429081975.db2.gz JXEFIAVLWUKXCL-CQSZACIVSA-N 1 0 345.443 3.023 10 10 EGCERO COc1ccc(C[NH2+][C@@H](C)CNC(=O)c2ccc(F)c(C)c2)cc1C ZINC001713334165 1417957733 /nfs/dbraw/zinc/95/77/33/1417957733.db2.gz AQSGIXIRWUBZTD-HNNXBMFYSA-N 1 0 344.430 3.359 10 10 EGCERO CC/C(C)=C\C(=O)N1CC[C@@H](C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001713341583 1417964373 /nfs/dbraw/zinc/96/43/73/1417964373.db2.gz KURADTSCMGMBFY-BXBOZWQASA-N 1 0 330.472 3.298 10 10 EGCERO COc1ccc(C[NH2+]CCCN(C)C(=O)C[C@@H]2CC[C@@H]3C[C@@H]32)cc1C ZINC001733111441 1429246729 /nfs/dbraw/zinc/24/67/29/1429246729.db2.gz AVEXIVWZMPMJIO-QYZOEREBSA-N 1 0 344.499 3.378 10 10 EGCERO CC/C(C)=C/C(=O)N[C@@H](C[NH2+]Cc1ccc(OC)c(C)c1)C1CC1 ZINC001733170737 1429273363 /nfs/dbraw/zinc/27/33/63/1429273363.db2.gz OIDOVQLECCLVFY-MDNBWPLSSA-N 1 0 330.472 3.344 10 10 EGCERO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@H](C)C(C)(C)C)C2)cc1C ZINC001713952364 1418735653 /nfs/dbraw/zinc/73/56/53/1418735653.db2.gz GCULFHACUCKGBA-XIRDDKMYSA-N 1 0 332.488 3.423 10 10 EGCERO COc1ccc(C[NH2+]C[C@@H](NC(=O)[C@@H]2C[C@H]2C2CC2)C2CC2)cc1C ZINC001733183162 1429284932 /nfs/dbraw/zinc/28/49/32/1429284932.db2.gz DMUFOXJKZLKMES-IPMKNSEASA-N 1 0 342.483 3.034 10 10 EGCERO COc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)C(C)=C2CCC2)cc1C ZINC001714612325 1419372749 /nfs/dbraw/zinc/37/27/49/1419372749.db2.gz YYFXEBZAEQTYDB-OAHLLOKOSA-N 1 0 330.472 3.441 10 10 EGCERO CC[C@H](CNC(=O)C1CC2(CC2)C1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001715079437 1419815272 /nfs/dbraw/zinc/81/52/72/1419815272.db2.gz JBDRDHINYVQLIU-QGZVFWFLSA-N 1 0 330.472 3.178 10 10 EGCERO COc1ccc(C[NH2+]CC[C@@H]2CCCN(C(=O)[C@@H]3C[C@H]3C)C2)cc1C ZINC001715147323 1419892896 /nfs/dbraw/zinc/89/28/96/1419892896.db2.gz DMWOWHNFJOTOSC-HHXXYDBFSA-N 1 0 344.499 3.378 10 10 EGCERO COc1ccc(C[NH2+]CC[C@@H](C)NC(=O)c2ncccc2C)cc1C ZINC001715639176 1420274873 /nfs/dbraw/zinc/27/48/73/1420274873.db2.gz XLKARKSOWMFNAF-MRXNPFEDSA-N 1 0 341.455 3.005 10 10 EGCERO COc1ccc(C[NH2+]CC[C@H]2CCN(C(=O)[C@@H](C)C3CC3)C2)cc1C ZINC001717077892 1421101241 /nfs/dbraw/zinc/10/12/41/1421101241.db2.gz KEGLDJSKACUJKG-IRXDYDNUSA-N 1 0 344.499 3.378 10 10 EGCERO COc1ccc(C[NH2+]C2(CNC(=O)C3(F)CCCC3)CCC2)cc1C ZINC001717153770 1421143915 /nfs/dbraw/zinc/14/39/15/1421143915.db2.gz XBYIAVPFVFNVRY-UHFFFAOYSA-N 1 0 348.462 3.414 10 10 EGCERO COc1ccc(C[NH2+]C2(CNC(=O)c3ccsc3C)CC2)cc1C ZINC001723514142 1424447021 /nfs/dbraw/zinc/44/70/21/1424447021.db2.gz FPHDOKTUDIBZIJ-UHFFFAOYSA-N 1 0 344.480 3.426 10 10 EGCERO COc1ccc(C[NH2+][C@H](C)[C@H](C)NC(=O)Cc2ccc(C)o2)cc1C ZINC001725095038 1425538162 /nfs/dbraw/zinc/53/81/62/1425538162.db2.gz RMGGPMGCNMFQRE-CVEARBPZSA-N 1 0 344.455 3.131 10 10 EGCERO COc1ccc(C[NH2+][C@@H](C)[C@H](C)NC(=O)Cc2ccc(C)o2)cc1C ZINC001725095048 1425538360 /nfs/dbraw/zinc/53/83/60/1425538360.db2.gz RMGGPMGCNMFQRE-HOTGVXAUSA-N 1 0 344.455 3.131 10 10 EGCERO CCCCC[NH2+][C@H](C)[C@@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001725129262 1425597670 /nfs/dbraw/zinc/59/76/70/1425597670.db2.gz NZWWUMZQYBIGHL-CHWSQXEVSA-N 1 0 333.436 3.136 10 10 EGCERO COc1ccc(C[NH2+][C@H](C)CNC(=O)c2cc(C)oc2C)cc1C ZINC001731578271 1427621456 /nfs/dbraw/zinc/62/14/56/1427621456.db2.gz FOBUSGQWPQFUOU-CYBMUJFWSA-N 1 0 330.428 3.122 10 10 EGCERO COc1ccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)c2csnc2C)cc1C ZINC001733971471 1437772754 /nfs/dbraw/zinc/77/27/54/1437772754.db2.gz SLQHPBVOOJWRND-QWHCGFSZSA-N 1 0 347.484 3.065 10 10 EGCERO C[C@@H]([NH2+]CC1CCCC1)[C@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001734003259 1437795351 /nfs/dbraw/zinc/79/53/51/1437795351.db2.gz FXOKYSOLVJUGFP-OLZOCXBDSA-N 1 0 345.447 3.136 10 10 EGCERO C[C@@H](NC(=O)c1ccc(N=NC(N)=O)cc1)[C@@H](C)[NH2+]CC1CCCC1 ZINC001734003258 1437795458 /nfs/dbraw/zinc/79/54/58/1437795458.db2.gz FXOKYSOLVJUGFP-CHWSQXEVSA-N 1 0 345.447 3.136 10 10 EGCERO Cc1cc(C[NH2+]Cc2cn(C)nc2-c2ccncc2)ccc1N(C)C ZINC000072289940 454286869 /nfs/dbraw/zinc/28/68/69/454286869.db2.gz LEYBSDJNFQBJNJ-UHFFFAOYSA-N 1 0 335.455 3.146 10 10 EGCERO CCCOc1ccc(C[N@@H+]2CCC[C@@H](Cc3nccn3C)C2)c(O)c1 ZINC000184728583 455437230 /nfs/dbraw/zinc/43/72/30/455437230.db2.gz LPUBVVQPFNWHDW-INIZCTEOSA-N 1 0 343.471 3.369 10 10 EGCERO CCOc1ccc(O)c(C[N@H+](C)Cc2cc(C(=O)OC)c(C)o2)c1 ZINC000122437961 454533573 /nfs/dbraw/zinc/53/35/73/454533573.db2.gz GXQDWTMAZUFZMW-UHFFFAOYSA-N 1 0 333.384 3.111 10 10 EGCERO COc1ccc(-c2nc(CN(C)Cc3ccccc3O)no2)cc1 ZINC000111235670 454859536 /nfs/dbraw/zinc/85/95/36/454859536.db2.gz KZROHSHRHAYGSW-UHFFFAOYSA-N 1 0 325.368 3.083 10 10 EGCERO COc1ccc(O)c(C[N@@H+]2CC[C@H](CNc3cccc(C)n3)C2)c1 ZINC000179989222 455111849 /nfs/dbraw/zinc/11/18/49/455111849.db2.gz HIPWOBZKRVIDQV-OAHLLOKOSA-N 1 0 327.428 3.038 10 10 EGCERO CC[C@@H]([NH2+]CCn1cc(C)cn1)c1cc(Br)ccc1O ZINC000156422432 455116762 /nfs/dbraw/zinc/11/67/62/455116762.db2.gz JHZYJKPCYDIATI-CQSZACIVSA-N 1 0 338.249 3.401 10 10 EGCERO CC(C)c1nnc2n1C[C@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)CC2 ZINC000180513896 455187178 /nfs/dbraw/zinc/18/71/78/455187178.db2.gz IXCMRYTUUBDXTE-GOEBONIOSA-N 1 0 327.476 3.133 10 10 EGCERO C[C@@H]([NH2+][C@H]1CCc2ncnn2C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000180594741 455204169 /nfs/dbraw/zinc/20/41/69/455204169.db2.gz ZJKQXFWDSLSHMH-ZBFHGGJFSA-N 1 0 343.450 3.073 10 10 EGCERO COc1cc(Cl)cc(C[N@@H+]2CC[C@@H](Oc3cccnc3)C2)c1O ZINC000184699239 455430334 /nfs/dbraw/zinc/43/03/34/455430334.db2.gz LGXLETPQWOJZLV-OAHLLOKOSA-N 1 0 334.803 3.103 10 10 EGCERO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)c2ccc(-n3cncn3)cc2)c1 ZINC000184884827 455466886 /nfs/dbraw/zinc/46/68/86/455466886.db2.gz YETLOGCYWVAXQZ-KBPBESRZSA-N 1 0 338.411 3.393 10 10 EGCERO C[C@H]([NH2+][C@H]1Cc2ccccc2[C@@H]1O)c1cc(Br)ccc1O ZINC000185465607 455561669 /nfs/dbraw/zinc/56/16/69/455561669.db2.gz NBSQGBKEOAUEIL-QXKQMHMISA-N 1 0 348.240 3.464 10 10 EGCERO C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@H]2C1(C)C)c1ccc(N2CCOCC2)c(F)c1 ZINC000247934429 455656653 /nfs/dbraw/zinc/65/66/53/455656653.db2.gz CIUMAJQQOUGLBM-JECZMYCTSA-N 1 0 348.462 3.126 10 10 EGCERO C[C@H]([NH2+][C@H](CO)C[C@H](O)C(C)(C)C)c1ccc(N2CCCCC2)cc1 ZINC000284278465 455661653 /nfs/dbraw/zinc/66/16/53/455661653.db2.gz HJWLNPVGKWDDQX-QRFRQXIXSA-N 1 0 348.531 3.486 10 10 EGCERO Cc1cc(C[C@H](C)[NH2+][C@H](C)c2cc(Br)ccc2O)[nH]n1 ZINC000186130454 455699365 /nfs/dbraw/zinc/69/93/65/455699365.db2.gz OYIXOTVWKQHLHG-GXSJLCMTSA-N 1 0 338.249 3.468 10 10 EGCERO CN1C[C@@H]([NH2+][C@H](CCc2ccccc2)c2ccccc2O)CCC1=O ZINC000293785142 455797555 /nfs/dbraw/zinc/79/75/55/455797555.db2.gz QJXDRPSFAVZPBG-PKOBYXMFSA-N 1 0 338.451 3.277 10 10 EGCERO C[C@@H]([NH2+]C[C@H]1CCc2nccn2C1)c1cc2c(cc1O)CCCC2 ZINC000278899956 455852303 /nfs/dbraw/zinc/85/23/03/455852303.db2.gz FRMUXUGUSITSIU-HUUCEWRRSA-N 1 0 325.456 3.381 10 10 EGCERO C[C@H]([NH2+]C[C@H]1CCc2nccn2C1)c1cc2c(cc1O)CCCC2 ZINC000278899960 455853156 /nfs/dbraw/zinc/85/31/56/455853156.db2.gz FRMUXUGUSITSIU-LSDHHAIUSA-N 1 0 325.456 3.381 10 10 EGCERO CC[C@@H]([NH2+]CCS(=O)(=O)c1ccccc1)c1ccc(C)cc1O ZINC000280001730 455880287 /nfs/dbraw/zinc/88/02/87/455880287.db2.gz FZTKKLFCCFUCMY-QGZVFWFLSA-N 1 0 333.453 3.215 10 10 EGCERO COc1cccc2c1CC[N@H+](Cc1cc(OC)c(OC)cc1O)CC2 ZINC000195387007 455954199 /nfs/dbraw/zinc/95/41/99/455954199.db2.gz JVZXEGQTQMPURF-UHFFFAOYSA-N 1 0 343.423 3.019 10 10 EGCERO CN(Cc1cccs1)c1ccc(C[NH2+]Cc2ccnn2C)cc1 ZINC000296561889 455974011 /nfs/dbraw/zinc/97/40/11/455974011.db2.gz VHGLATOARXTEPB-UHFFFAOYSA-N 1 0 326.469 3.408 10 10 EGCERO Cc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCN(Cc3ccc(F)cc3)C2=O)c1 ZINC000189051127 456211941 /nfs/dbraw/zinc/21/19/41/456211941.db2.gz XCQJMPZRNNMMRP-KDOFPFPSSA-N 1 0 342.414 3.291 10 10 EGCERO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCN(Cc3ccc(F)cc3)C2=O)c1 ZINC000189051089 456212808 /nfs/dbraw/zinc/21/28/08/456212808.db2.gz XCQJMPZRNNMMRP-RDTXWAMCSA-N 1 0 342.414 3.291 10 10 EGCERO O=C1C[C@H]([C@H]2CCCC[N@@H+]2Cc2ccc(N3CCCCC3)cc2)CN1 ZINC000360809557 457363900 /nfs/dbraw/zinc/36/39/00/457363900.db2.gz KRPGFKJRTWOZOY-AZUAARDMSA-N 1 0 341.499 3.168 10 10 EGCERO Cc1cc(O)c(C[NH2+][C@H]2CC[C@@H](C(=O)N3CCCCC3)C2)cc1C ZINC000373905543 457393088 /nfs/dbraw/zinc/39/30/88/457393088.db2.gz QGSAXSOIQWVXEX-AEFFLSMTSA-N 1 0 330.472 3.280 10 10 EGCERO Cc1ccnc(C2CC[NH+](Cc3ccc(N(C)C)c(F)c3)CC2)n1 ZINC000363873173 457459639 /nfs/dbraw/zinc/45/96/39/457459639.db2.gz BISQWVJHGSKYKF-UHFFFAOYSA-N 1 0 328.435 3.370 10 10 EGCERO CCOc1ccc(O)c(C[N@@H+]2CC[C@@](O)(c3ccc(F)cc3)C2)c1 ZINC000375033631 457763613 /nfs/dbraw/zinc/76/36/13/457763613.db2.gz AQHCMZNAKUQNLC-IBGZPJMESA-N 1 0 331.387 3.024 10 10 EGCERO CCN(CC)c1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CNC(=O)C2)cc1F ZINC000362337774 458112775 /nfs/dbraw/zinc/11/27/75/458112775.db2.gz XTPJXMKWHSJHPO-FUHWJXTLSA-N 1 0 347.478 3.163 10 10 EGCERO Cc1cc(Br)cc([C@H](C)N[C@@H]2CC[NH2+]C23CCC3)c1O ZINC000530217251 458720501 /nfs/dbraw/zinc/72/05/01/458720501.db2.gz SJPAETLHJXJWTF-SMDDNHRTSA-N 1 0 339.277 3.398 10 10 EGCERO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@H](c3ccncn3)C2)c1O ZINC000365880533 547780702 /nfs/dbraw/zinc/78/07/02/547780702.db2.gz IMEXWFHMGLCWEK-ZDUSSCGKSA-N 1 0 345.830 3.418 10 10 EGCERO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CC(C)(C)C2)C1 ZINC000684084690 550289332 /nfs/dbraw/zinc/28/93/32/550289332.db2.gz YYZDEQSPPDLIMZ-UHFFFAOYSA-N 1 0 339.483 3.276 10 10 EGCERO CCOc1ccc(O)c(C[N@@H+]2CCO[C@@]3(CCc4ccccc43)C2)c1 ZINC000093638388 1292927486 /nfs/dbraw/zinc/92/74/86/1292927486.db2.gz HSXRQMCSNMADBT-NRFANRHFSA-N 1 0 339.435 3.465 10 10 EGCERO CCc1nc(NC(=O)C[NH2+][C@H](C)c2cc(OC)ccc2O)sc1C ZINC000182439788 1295047142 /nfs/dbraw/zinc/04/71/42/1295047142.db2.gz CCDCEEONCSBSLB-SNVBAGLBSA-N 1 0 349.456 3.017 10 10 EGCERO CCOC(=O)c1csc(CC[NH2+][C@H](CC)c2ccccc2O)n1 ZINC000191550493 1295690081 /nfs/dbraw/zinc/69/00/81/1295690081.db2.gz NXVNGTFKRHFTAI-CYBMUJFWSA-N 1 0 334.441 3.309 10 10 EGCERO O=C([C@H]1CCCC[N@@H+]1Cc1ccccc1)N1Cc2cccc(O)c2C1 ZINC000871203261 1296271135 /nfs/dbraw/zinc/27/11/35/1296271135.db2.gz VMUCGKGAQWWNSX-LJQANCHMSA-N 1 0 336.435 3.289 10 10 EGCERO C[C@H]([NH2+]C[C@@H]1C[C@H]2CCC[C@@H]2O1)c1ccc(N2CCOCC2)c(F)c1 ZINC000872109964 1296736805 /nfs/dbraw/zinc/73/68/05/1296736805.db2.gz UVBDKAGEWYHEGO-FORWCCJISA-N 1 0 348.462 3.271 10 10 EGCERO C[C@H]1C[C@@H]([NH2+]Cc2ccc(O)cc2O)CCN1Cc1ccccc1 ZINC000379633985 1297536862 /nfs/dbraw/zinc/53/68/62/1297536862.db2.gz UXHRFTCOQXELOA-YJBOKZPZSA-N 1 0 326.440 3.241 10 10 EGCERO Cc1cc(O)c(C[NH2+]CC[C@@H]2CCC3(CCOCC3)CO2)cc1C ZINC000886300615 1303427392 /nfs/dbraw/zinc/42/73/92/1303427392.db2.gz LZFDTCLRFNFVMP-SFHVURJKSA-N 1 0 333.472 3.465 10 10 EGCERO CN(C)c1ccc(C[NH2+]CC[C@@H]2CCC3(CCOCC3)CO2)cc1 ZINC000886301947 1303427608 /nfs/dbraw/zinc/42/76/08/1303427608.db2.gz BETGVGCVTYRCRS-IBGZPJMESA-N 1 0 332.488 3.208 10 10 EGCERO C[C@@H]1[C@H](C)OC[C@]12CC[C@H](C[NH2+]C/C=C/c1ccc(N(C)C)cc1)O2 ZINC000886336337 1303439692 /nfs/dbraw/zinc/43/96/92/1303439692.db2.gz PXWZCXDFGFGXSY-IYUIADAZSA-N 1 0 344.499 3.328 10 10 EGCERO COc1cc(C)cc(C[NH2+][C@H]2CCN(C)[C@@H]2c2ccccc2)c1O ZINC000894368796 1306363157 /nfs/dbraw/zinc/36/31/57/1306363157.db2.gz VGHDJHNCWGJQCP-PKOBYXMFSA-N 1 0 326.440 3.244 10 10 EGCERO COCC1(CC[NH2+]Cc2c3cc(F)ccc3n(C)c2C(=O)OC)CC1 ZINC000895075084 1309181711 /nfs/dbraw/zinc/18/17/11/1309181711.db2.gz HNZLQJXSTOLQBX-UHFFFAOYSA-N 1 0 348.418 3.010 10 10 EGCERO COc1cc(C)cc(CN(c2ccccn2)[C@H]2CC[C@H]([NH3+])CC2)c1O ZINC000895111886 1309194769 /nfs/dbraw/zinc/19/47/69/1309194769.db2.gz ATFAUSZSAYOYQI-QAQDUYKDSA-N 1 0 341.455 3.381 10 10 EGCERO CO[C@H]1C[C@H](C[NH2+]Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC000895539877 1309391455 /nfs/dbraw/zinc/39/14/55/1309391455.db2.gz KCFVXGRCXIGIFR-RUCARUNLSA-N 1 0 327.424 3.486 10 10 EGCERO COc1cc(C)cc(C[NH2+]CC[C@H]2CCC3(CCOCC3)CO2)c1O ZINC000895799495 1309526287 /nfs/dbraw/zinc/52/62/87/1309526287.db2.gz MHVIHPBHWIDXFG-QGZVFWFLSA-N 1 0 349.471 3.165 10 10 EGCERO COc1cc(O)c(C[NH2+]C[C@]2(C)CCOC3(CCC3)C2)cc1OC ZINC000895821412 1309536555 /nfs/dbraw/zinc/53/65/55/1309536555.db2.gz KWNCRJDVYVITAU-GOSISDBHSA-N 1 0 335.444 3.238 10 10 EGCERO CCN(CC)c1ccc(C[N@@H+]2CC[C@](CO)(C(F)(F)F)C2)cc1F ZINC000895838027 1309547607 /nfs/dbraw/zinc/54/76/07/1309547607.db2.gz ZLTZFOUGDPKLEZ-INIZCTEOSA-N 1 0 348.384 3.419 10 10 EGCERO Oc1cccc(Br)c1C[N@@H+]1CC[C@H]([C@H]2CCCO2)C1 ZINC000895844126 1309552726 /nfs/dbraw/zinc/55/27/26/1309552726.db2.gz METVVMGFEQVVTF-XHDPSFHLSA-N 1 0 326.234 3.156 10 10 EGCERO CCCN(CC[NH+]1CCCC1)C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000897735725 1310448843 /nfs/dbraw/zinc/44/88/43/1310448843.db2.gz RVGKPKSGRLCFET-UHFFFAOYSA-N 1 0 348.468 3.261 10 10 EGCERO CCN(CC)c1ccc(C[N@H+](C)C[C@H](O)CCC2(O)CCC2)cc1 ZINC000929185495 1328530475 /nfs/dbraw/zinc/53/04/75/1328530475.db2.gz UEVWGNZVRMUWHP-LJQANCHMSA-N 1 0 334.504 3.021 10 10 EGCERO C/C(=C\c1cccnc1)C(=O)N1C[C@@H]([NH+](C)C)CCc2ccccc21 ZINC000857925741 1328627222 /nfs/dbraw/zinc/62/72/22/1328627222.db2.gz PDVSPSQZXOHAFA-XAVZPLJISA-N 1 0 335.451 3.395 10 10 EGCERO CN(C)c1cc(F)c(C[NH2+]CCCNC(=O)OC(C)(C)C)cc1F ZINC000858125670 1328689107 /nfs/dbraw/zinc/68/91/07/1328689107.db2.gz KCMXIPVVVADBJN-UHFFFAOYSA-N 1 0 343.418 3.035 10 10 EGCERO CN(C)c1ccc(/C=C/C[NH2+]Cc2c(C(F)(F)F)cnn2C)cc1 ZINC000858210443 1328711989 /nfs/dbraw/zinc/71/19/89/1328711989.db2.gz QNSZJCYVJBMOLR-SNAWJCMRSA-N 1 0 338.377 3.308 10 10 EGCERO Cc1cc(O)c(C[NH2+]Cc2c(C(F)(F)F)cnn2C)c(Cl)c1 ZINC000858211217 1328713015 /nfs/dbraw/zinc/71/30/15/1328713015.db2.gz LMIGRDULHNFLFJ-UHFFFAOYSA-N 1 0 333.741 3.396 10 10 EGCERO CCN(CC)c1ccc(C[NH2+]C[C@@H]2c3ccccc3C(=O)N2C)cc1 ZINC000858282933 1328728587 /nfs/dbraw/zinc/72/85/87/1328728587.db2.gz AIZXRZMITMFCLT-HXUWFJFHSA-N 1 0 337.467 3.449 10 10 EGCERO Cc1cc(C[NH2+][C@@H]2CCC(=O)NC2(C)C)c(C)n1-c1ccccc1 ZINC000858543709 1328792394 /nfs/dbraw/zinc/79/23/94/1328792394.db2.gz VSBLYBYKHDQKGP-GOSISDBHSA-N 1 0 325.456 3.241 10 10 EGCERO COc1ccc(N2CC[C@H]([NH2+]Cc3nccc4c3CCCC4)C2)cc1 ZINC000922237626 1322485134 /nfs/dbraw/zinc/48/51/34/1322485134.db2.gz LWFGIXFSXVRTKJ-KRWDZBQOSA-N 1 0 337.467 3.338 10 10 EGCERO Cc1cc(O)c(C[NH2+]Cc2cc(C(F)(F)F)nn2C)c(Cl)c1 ZINC000922713192 1322600673 /nfs/dbraw/zinc/60/06/73/1322600673.db2.gz NXHCXINCJOKTTQ-UHFFFAOYSA-N 1 0 333.741 3.396 10 10 EGCERO C[C@H]([NH2+]C1CC2(C1)CO[C@H](C)C2)c1ccc(N2CCOCC2)cc1 ZINC000924794764 1323165584 /nfs/dbraw/zinc/16/55/84/1323165584.db2.gz HJWNOONGWFANQU-NVOXVDHGSA-N 1 0 330.472 3.131 10 10 EGCERO C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC3(CCOCC3)O2)c2c1c(F)ccc2O ZINC000927013018 1327819769 /nfs/dbraw/zinc/81/97/69/1327819769.db2.gz JCWPEZQBRWXDRS-NFAWXSAZSA-N 1 0 335.419 3.397 10 10 EGCERO Cc1c(C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)ccnc1F ZINC000862213722 1329466292 /nfs/dbraw/zinc/46/62/92/1329466292.db2.gz UGUIQNMTXMBEDV-KRWDZBQOSA-N 1 0 330.403 3.416 10 10 EGCERO C[C@]1(C[NH2+]Cc2ccc(N3CCC(CO)CC3)cc2)CCCS1 ZINC000862275296 1329473299 /nfs/dbraw/zinc/47/32/99/1329473299.db2.gz PVWKFWCAQMGAQW-LJQANCHMSA-N 1 0 334.529 3.271 10 10 EGCERO Oc1cccc(Br)c1C[NH+]1CC(C2CCOCC2)C1 ZINC000862355387 1329477289 /nfs/dbraw/zinc/47/72/89/1329477289.db2.gz FGKSMVUREDIHMS-UHFFFAOYSA-N 1 0 326.234 3.013 10 10 EGCERO COC(=O)C1=CC[C@@H]([NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000862467993 1329488772 /nfs/dbraw/zinc/48/87/72/1329488772.db2.gz RFUFPPBKWBTBAD-CYBMUJFWSA-N 1 0 342.361 3.123 10 10 EGCERO CCc1cccc(C[NH2+]C[C@H]2CCN2Cc2ccc(OC)cc2)c1O ZINC000862476802 1329489630 /nfs/dbraw/zinc/48/96/30/1329489630.db2.gz YUQIQTGMWIYYOD-LJQANCHMSA-N 1 0 340.467 3.327 10 10 EGCERO Cc1cc(Br)cc(C[NH2+][C@H]2CO[C@@H](C3CC3)C2)c1O ZINC000862529871 1329492671 /nfs/dbraw/zinc/49/26/71/1329492671.db2.gz QNVRGVIXVVDGBU-ZIAGYGMSSA-N 1 0 326.234 3.120 10 10 EGCERO CC[C@@H]1[NH2+]CC[C@H]1N[C@@H](C)c1cc(Br)cc(C)c1O ZINC000863543607 1329561907 /nfs/dbraw/zinc/56/19/07/1329561907.db2.gz SHWZZGNFLKOKAU-LEWSCRJBSA-N 1 0 327.266 3.254 10 10 EGCERO COc1ccc(N2CC[C@H]([NH2+][C@H]3[C@@H]4CCO[C@@H]4C34CCCC4)C2)cc1 ZINC000866385661 1330105025 /nfs/dbraw/zinc/10/50/25/1330105025.db2.gz OVNDBWYVPZUGHF-KNTRFNDTSA-N 1 0 342.483 3.211 10 10 EGCERO CCC1([NH+](C)C)CCN(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000868515302 1330288760 /nfs/dbraw/zinc/28/87/60/1330288760.db2.gz KJZXBRJCXRPPIL-INIZCTEOSA-N 1 0 346.519 3.329 10 10 EGCERO CC[C@@H]1C[N@H+](Cc2ccc(N3CCCC3)cc2)CCN1CC(F)F ZINC001116444931 1370913729 /nfs/dbraw/zinc/91/37/29/1370913729.db2.gz IDUCLVZAICXHCT-QGZVFWFLSA-N 1 0 337.458 3.448 10 10 EGCERO COc1cc(C)cc(C[NH2+][C@@H]2CCN(C)[C@H]2c2ccc(F)cc2)c1O ZINC001119446487 1371344265 /nfs/dbraw/zinc/34/42/65/1371344265.db2.gz ZFZXTXANRUNFSW-MJGOQNOKSA-N 1 0 344.430 3.383 10 10 EGCERO Cc1ccc(O)c2c1[C@@H](C)C[C@H]2[NH2+]CC1(C2(O)CCOCC2)CC1 ZINC001119607166 1371373991 /nfs/dbraw/zinc/37/39/91/1371373991.db2.gz YAOPJOCTNRPTJP-LSDHHAIUSA-N 1 0 331.456 3.160 10 10 EGCERO CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+][C@@H]2C[C@@H](C)c3c2c(O)ccc3C)C1 ZINC001327227574 1388453935 /nfs/dbraw/zinc/45/39/35/1388453935.db2.gz HBTCPIBWTWYNTI-JJTUDDRGSA-N 1 0 333.472 3.405 10 10 EGCERO CCN(CC)c1ccc(CN(C)C(=O)C23CCC[NH+](CCC2)C3)cc1 ZINC001135733081 1377197018 /nfs/dbraw/zinc/19/70/18/1377197018.db2.gz SLOQODKCJFENHN-UHFFFAOYSA-N 1 0 343.515 3.367 10 10 EGCERO CCN(CC)c1ccc(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)cc1F ZINC001136730157 1377418145 /nfs/dbraw/zinc/41/81/45/1377418145.db2.gz FEBAVLNMVHAUDC-QFBILLFUSA-N 1 0 347.478 3.305 10 10 EGCERO CCC[N@@H+]1CCC[C@H](C(=O)NCc2ccc(N(CC)CC)c(F)c2)C1 ZINC001144979002 1378786308 /nfs/dbraw/zinc/78/63/08/1378786308.db2.gz YQZQOSMKQBKHME-KRWDZBQOSA-N 1 0 349.494 3.410 10 10 EGCERO COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)C2CC3(CC3)C2)cc1C ZINC001283664140 1379092672 /nfs/dbraw/zinc/09/26/72/1379092672.db2.gz UQIRTRKOKAPJJJ-OAHLLOKOSA-N 1 0 330.472 3.130 10 10 EGCERO CC[C@H](CNC(=O)[C@H]1CCC1(C)C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001318560684 1385756879 /nfs/dbraw/zinc/75/68/79/1385756879.db2.gz CAUNPLFWQCIGIK-IAGOWNOFSA-N 1 0 332.488 3.424 10 10 EGCERO COc1ccc(C[NH2+]C/C=C/CNC(=O)c2cc(C)cs2)cc1C ZINC001321051762 1386795090 /nfs/dbraw/zinc/79/50/90/1386795090.db2.gz BGACXXHVQVDBSW-SNAWJCMRSA-N 1 0 344.480 3.449 10 10 EGCERO CCOC(=O)c1cc(C[NH2+][C@@H]2C[C@@H](C)c3c2c(O)ccc3C)on1 ZINC001329375384 1389083085 /nfs/dbraw/zinc/08/30/85/1389083085.db2.gz KYJVRFGYWMPEPH-DGCLKSJQSA-N 1 0 330.384 3.203 10 10 EGCERO FC(F)(F)[C@@H](C[NH2+]Cc1ccc(N2CCCC2)cc1)n1cccn1 ZINC001331676103 1389853186 /nfs/dbraw/zinc/85/31/86/1389853186.db2.gz MYEHEJMQCPNKCI-MRXNPFEDSA-N 1 0 338.377 3.377 10 10 EGCERO COc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)c2cccc(F)c2)cc1C ZINC001698810768 1406497291 /nfs/dbraw/zinc/49/72/91/1406497291.db2.gz IBFXNOBISDQWHL-OAHLLOKOSA-N 1 0 344.430 3.393 10 10 EGCERO COc1ccc(C[NH2+][C@H](C)CNC(=O)[C@@H](C)c2cccs2)cc1C ZINC001480535433 1392783015 /nfs/dbraw/zinc/78/30/15/1392783015.db2.gz FIVZOSAXEKZWAT-CABCVRRESA-N 1 0 346.496 3.463 10 10 EGCERO COc1ccc(C[NH2+]CCN(C)C(=O)C23CCC(CC2)C3)cc1C ZINC001481247102 1393153189 /nfs/dbraw/zinc/15/31/89/1393153189.db2.gz HYNPKJSWFIMMFM-UHFFFAOYSA-N 1 0 330.472 3.132 10 10 EGCERO CN(CC[NH2+]CCCC(C)(C)C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001481322023 1393163843 /nfs/dbraw/zinc/16/38/43/1393163843.db2.gz NLCICMMGLZKSDB-UHFFFAOYSA-N 1 0 347.463 3.337 10 10 EGCERO COc1ccc(C[NH2+]CC2(NC(=O)c3ccoc3)CCCC2)cc1C ZINC001481887920 1394579698 /nfs/dbraw/zinc/57/96/98/1394579698.db2.gz CBHQNVCBPXCYFP-UHFFFAOYSA-N 1 0 342.439 3.429 10 10 EGCERO COc1ccc(C[NH2+][C@H](CNC(=O)c2ccccc2)C2CC2)cc1C ZINC001690141592 1404340587 /nfs/dbraw/zinc/34/05/87/1404340587.db2.gz YFEIEFNQKVJVCO-LJQANCHMSA-N 1 0 338.451 3.302 10 10 EGCERO CN(CC[NH2+]CC1CCCCC1)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001691630768 1405368332 /nfs/dbraw/zinc/36/83/32/1405368332.db2.gz FTNZGZPRIJFFLX-UHFFFAOYSA-N 1 0 345.447 3.091 10 10 EGCERO CC/C=C/CC[N@H+](C)C[C@@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001699476313 1412868894 /nfs/dbraw/zinc/86/88/94/1412868894.db2.gz KXHZFSSFKJFOEF-PJFZWDLLSA-N 1 0 345.447 3.255 10 10 EGCERO COc1ccc(C[NH2+]C[C@H]2CCC[C@@H]2NC(=O)C=C(C)C)cc1C ZINC001732611407 1428872151 /nfs/dbraw/zinc/87/21/51/1428872151.db2.gz WDACMWARNDMLAR-MSOLQXFVSA-N 1 0 330.472 3.344 10 10 EGCERO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)Cc2ccc(C)s2)cc1C ZINC001732983244 1429110390 /nfs/dbraw/zinc/11/03/90/1429110390.db2.gz LGYDEJRWVFYGDA-CQSZACIVSA-N 1 0 346.496 3.211 10 10 EGCERO CC[C@@H](CNC(=O)c1cc(C)[nH]c1C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001714105784 1418904788 /nfs/dbraw/zinc/90/47/88/1418904788.db2.gz CEWJLBGFEWXWHQ-KRWDZBQOSA-N 1 0 343.471 3.247 10 10 EGCERO COc1ccc(C[NH2+][C@@H](C)CNC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)cc1C ZINC001714234799 1419025530 /nfs/dbraw/zinc/02/55/30/1419025530.db2.gz MXYNMRJDCLKBRJ-OGWHTMIXSA-N 1 0 342.483 3.200 10 10 EGCERO COc1ccc(C[NH2+][C@H](C)CNC(=O)C23CCC(CC2)C3)cc1C ZINC001714247322 1419033522 /nfs/dbraw/zinc/03/35/22/1419033522.db2.gz URLJHLOUJKPJBA-LSWWBPAMSA-N 1 0 330.472 3.178 10 10 EGCERO CCN(CC[NH2+]Cc1ccc(OC)c(C)c1)C(=O)[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC001715744156 1420321166 /nfs/dbraw/zinc/32/11/66/1420321166.db2.gz GHXGQYPGBJNYRA-QRVBRYPASA-N 1 0 344.499 3.378 10 10 EGCERO CCN(CC[NH2+]Cc1ccc(OC)c(C)c1)C(=O)C[C@@H]1CC[C@H]2C[C@H]21 ZINC001716226285 1420572441 /nfs/dbraw/zinc/57/24/41/1420572441.db2.gz XJFPVEMPUVWECY-GBESFXJTSA-N 1 0 344.499 3.378 10 10 EGCERO CCN(CC[NH2+]Cc1ccc(OC)c(C)c1)C(=O)[C@H](C)c1ccco1 ZINC001716240406 1420578226 /nfs/dbraw/zinc/57/82/26/1420578226.db2.gz ZOUZYUCKVXNMJN-MRXNPFEDSA-N 1 0 344.455 3.338 10 10 EGCERO CCN(CC[NH2+]Cc1ccc(OC)c(C)c1)C(=O)[C@@H](C)c1ccco1 ZINC001716240405 1420578233 /nfs/dbraw/zinc/57/82/33/1420578233.db2.gz ZOUZYUCKVXNMJN-INIZCTEOSA-N 1 0 344.455 3.338 10 10 EGCERO COc1ccc(C[NH2+]C2(CNC(=O)c3ccc(Cl)[nH]3)CC2)cc1C ZINC001716693585 1420846499 /nfs/dbraw/zinc/84/64/99/1420846499.db2.gz WSMGLENHQACXSG-UHFFFAOYSA-N 1 0 347.846 3.037 10 10 EGCERO COc1ccc(C[NH2+]CC[C@@H]2CCN(C(=O)[C@@H](C)C3CC3)C2)cc1C ZINC001717077890 1421101079 /nfs/dbraw/zinc/10/10/79/1421101079.db2.gz KEGLDJSKACUJKG-DLBZAZTESA-N 1 0 344.499 3.378 10 10 EGCERO COc1ccc(C[NH2+]CCCN(C)C(=O)[C@@H]2CC[C@@H](C)C2)cc1C ZINC001723142543 1424307949 /nfs/dbraw/zinc/30/79/49/1424307949.db2.gz QLTDXDFGLOLXPR-CRAIPNDOSA-N 1 0 332.488 3.378 10 10 EGCERO C[C@@H]([NH3+])c1ccc(N2CCC[C@H]2CCCO)c(Br)c1 ZINC000103964936 219333346 /nfs/dbraw/zinc/33/33/46/219333346.db2.gz NHRYBNLIXXMBRX-YPMHNXCESA-N 1 0 327.266 3.210 10 10 EGCERO COc1cc(Br)cc(C[NH2+][C@@H](C)c2cccnc2)c1O ZINC000069536779 215466913 /nfs/dbraw/zinc/46/69/13/215466913.db2.gz MRLFVACIHOVHLY-JTQLQIEISA-N 1 0 337.217 3.409 10 10 EGCERO CCO[C@H]1C[C@@H]([NH2+]Cc2cc(Cl)ccc2O)C12CCOCC2 ZINC000185662888 455591811 /nfs/dbraw/zinc/59/18/11/455591811.db2.gz DKUXZHJTSHWNKA-CVEARBPZSA-N 1 0 325.836 3.109 10 10 EGCERO Cc1cc(C(=O)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)c(C)n1-c1ccc(F)cc1 ZINC000237859887 455227058 /nfs/dbraw/zinc/22/70/58/455227058.db2.gz ZRNIMKMLFMTOEV-SJPCQFCGSA-N 1 0 341.430 3.246 10 10 EGCERO Cc1cc(Cl)cc(C[N@H+]2CCC[C@H]([C@H](O)c3nccn3C)C2)c1O ZINC000180728193 455234788 /nfs/dbraw/zinc/23/47/88/455234788.db2.gz QQROPMZVNSGDAB-GUYCJALGSA-N 1 0 349.862 3.033 10 10 EGCERO Cc1nc(CN2CCC[N@H+](Cc3cc(F)ccc3O)CC2)cs1 ZINC000183293980 455271917 /nfs/dbraw/zinc/27/19/17/455271917.db2.gz WBOCTLPVLVPEAE-UHFFFAOYSA-N 1 0 335.448 3.004 10 10 EGCERO C[C@H]([NH2+][C@H](Cc1ccccc1)C(=O)N(C)C)c1ccc(N(C)C)cc1 ZINC000159076695 455349833 /nfs/dbraw/zinc/34/98/33/455349833.db2.gz GJTGGTKTLMHUSN-OXJNMPFZSA-N 1 0 339.483 3.103 10 10 EGCERO CC(=O)c1ccc(OC[C@H]2C[NH2+][C@@H](c3ccc(N(C)C)cc3)O2)cc1 ZINC000032722768 453885447 /nfs/dbraw/zinc/88/54/47/453885447.db2.gz RYOFAHLLLJAPSX-WOJBJXKFSA-N 1 0 340.423 3.021 10 10 EGCERO CCOCc1cc(C[NH2+]C[C@@H]2CCCn3cc(C)nc32)ccc1OC ZINC000089987048 454256034 /nfs/dbraw/zinc/25/60/34/454256034.db2.gz LBYYZKAHRBBQRA-KRWDZBQOSA-N 1 0 343.471 3.404 10 10 EGCERO COc1cc(Cl)cc(C[N@@H+]2CC[C@@H](C)[C@@H](n3ccnc3)C2)c1O ZINC000184702737 455431384 /nfs/dbraw/zinc/43/13/84/455431384.db2.gz GIRZTCJHPAKNDI-DOMZBBRYSA-N 1 0 335.835 3.334 10 10 EGCERO [O-]c1ccc(Cl)c(F)c1CN1CCO[C@H](c2cccc(O)c2)C1 ZINC000191371781 455481557 /nfs/dbraw/zinc/48/15/57/455481557.db2.gz AFLXAGGFMXEHOH-INIZCTEOSA-N 1 0 337.778 3.464 10 10 EGCERO CCN(CC)[C@H](C)C[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000127527717 454974473 /nfs/dbraw/zinc/97/44/73/454974473.db2.gz PNZDRUNTCWTTKP-CVEARBPZSA-N 1 0 337.483 3.043 10 10 EGCERO CCCN(CCC)c1ccc(C[NH+]2CCC(C(=O)NC)CC2)cc1 ZINC000179826050 455085746 /nfs/dbraw/zinc/08/57/46/455085746.db2.gz BERVWNLTAVFBEN-UHFFFAOYSA-N 1 0 331.504 3.271 10 10 EGCERO Cc1cc(Cl)cc(C[NH+]2CCC([C@H](O)c3nccn3C)CC2)c1O ZINC000180280716 455154487 /nfs/dbraw/zinc/15/44/87/455154487.db2.gz LBQQUQYJUODALP-KRWDZBQOSA-N 1 0 349.862 3.033 10 10 EGCERO Cc1cc(Br)cc(C[N@@H+](C)[C@@H]2CCN(C)[C@H](C)C2)c1O ZINC000180423172 455166469 /nfs/dbraw/zinc/16/64/69/455166469.db2.gz BMOCPKVQVTXNQC-IUODEOHRSA-N 1 0 341.293 3.378 10 10 EGCERO COc1cc(O)c(C[N@@H+]2CCCC[C@@H]2c2cccn2C)cc1OC ZINC000180638310 455215088 /nfs/dbraw/zinc/21/50/88/455215088.db2.gz VNAHXJKVIAYEKQ-MRXNPFEDSA-N 1 0 330.428 3.475 10 10 EGCERO COc1cc(O)c(C[N@@H+]2C[C@@H](c3ccccc3)OC[C@@H]2C)cc1OC ZINC000160117744 455430859 /nfs/dbraw/zinc/43/08/59/455430859.db2.gz LAVQXAUBGOGVMS-XOBRGWDASA-N 1 0 343.423 3.371 10 10 EGCERO COc1cc(O)c(C[NH+]2CCC(C3CCOCC3)CC2)cc1OC ZINC000160478643 455464555 /nfs/dbraw/zinc/46/45/55/455464555.db2.gz FEDOBZUUEOIZCS-UHFFFAOYSA-N 1 0 335.444 3.048 10 10 EGCERO C[C@H]([NH2+][C@@H]1Cc2ccccc2[C@@H]1O)c1ccc(Br)cc1O ZINC000185466519 455562143 /nfs/dbraw/zinc/56/21/43/455562143.db2.gz KWWQKQYLPKUSGX-FGDXXIHYSA-N 1 0 348.240 3.464 10 10 EGCERO COc1ccc(O)c([C@H](C)[NH2+]C2CCN(c3ccc(C)cn3)CC2)c1 ZINC000185539496 455576003 /nfs/dbraw/zinc/57/60/03/455576003.db2.gz ZTWXAPQZDGWCNJ-HNNXBMFYSA-N 1 0 341.455 3.424 10 10 EGCERO C[C@H]([NH2+][C@H]1CCCN(c2cnn(C)c2)C1)c1cc(Cl)ccc1O ZINC000185552274 455577160 /nfs/dbraw/zinc/57/71/60/455577160.db2.gz GOPLSVKMTVYZTK-JSGCOSHPSA-N 1 0 334.851 3.099 10 10 EGCERO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCN(C)[C@@H]2c2ccccc2)c1 ZINC000186188975 455712081 /nfs/dbraw/zinc/71/20/81/455712081.db2.gz XLQXMUSSKWUIDE-BOUXLOLZSA-N 1 0 326.440 3.497 10 10 EGCERO CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3O)C[C@@H]12 ZINC000248558651 455719794 /nfs/dbraw/zinc/71/97/94/455719794.db2.gz AJZRTICHVCQBQP-FVQBIDKESA-N 1 0 332.444 3.127 10 10 EGCERO CCCCCC(=O)NC1CC[NH+](Cc2cc(OC)ccc2O)CC1 ZINC000271695026 455725285 /nfs/dbraw/zinc/72/52/85/455725285.db2.gz APWCNUKFCZNRHD-UHFFFAOYSA-N 1 0 334.460 3.062 10 10 EGCERO CCO[C@H]1C[C@H]([NH2+]Cc2ccc3c(c2)CCCN3C)C12CCOCC2 ZINC000186297984 455737575 /nfs/dbraw/zinc/73/75/75/455737575.db2.gz URWLIYHBIWBSDP-PMACEKPBSA-N 1 0 344.499 3.133 10 10 EGCERO CC[C@@H]([NH2+]Cc1cnc(N2CCOCC2)c(F)c1)c1ccccc1O ZINC000186413542 455762790 /nfs/dbraw/zinc/76/27/90/455762790.db2.gz QZUDLEQYLJJMLM-QGZVFWFLSA-N 1 0 345.418 3.004 10 10 EGCERO OC[C@@H]([NH2+][C@H]1CCc2cccc(O)c21)c1cccc(Br)c1 ZINC000296234231 455887976 /nfs/dbraw/zinc/88/79/76/455887976.db2.gz APDUOQYHHDZLMO-LSDHHAIUSA-N 1 0 348.240 3.465 10 10 EGCERO c1cc(N2CCCCC2)ccc1C[N@@H+]1CCO[C@@]2(CCCOC2)C1 ZINC000289639664 456134178 /nfs/dbraw/zinc/13/41/78/456134178.db2.gz XMQSCPIJBYMDGU-FQEVSTJZSA-N 1 0 330.472 3.058 10 10 EGCERO Cc1ccc([C@H](C)[NH2+][C@@H](Cc2ccccc2)C(=O)N(C)C)c(O)c1C ZINC000273582580 456239102 /nfs/dbraw/zinc/23/91/02/456239102.db2.gz NBNCADDSRVBGPY-LPHOPBHVSA-N 1 0 340.467 3.359 10 10 EGCERO Cc1cc(Cl)cc(C[NH2+]C[C@@H]2CCC3(CCOCC3)[C@@H]2O)c1O ZINC000283115612 456713564 /nfs/dbraw/zinc/71/35/64/456713564.db2.gz UVCKIVGBQXCXIM-SUMWQHHRSA-N 1 0 339.863 3.011 10 10 EGCERO C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]Cc1cc(F)ccc1O ZINC000277414940 456817342 /nfs/dbraw/zinc/81/73/42/456817342.db2.gz IPIYQFTWJAVAEF-SWLSCSKDSA-N 1 0 338.423 3.266 10 10 EGCERO COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCc3cnn(C(C)C)c3C2)c1 ZINC000364769737 457690558 /nfs/dbraw/zinc/69/05/58/457690558.db2.gz LZIJQEVPNAXXIV-UKRRQHHQSA-N 1 0 329.444 3.386 10 10 EGCERO C[C@@H](Cn1cncn1)[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000367539530 457960429 /nfs/dbraw/zinc/96/04/29/457960429.db2.gz AXCAXJCPRUSVEM-KRWDZBQOSA-N 1 0 347.466 3.019 10 10 EGCERO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@H](C)C2CC2)C1 ZINC000435615483 458172164 /nfs/dbraw/zinc/17/21/64/458172164.db2.gz JDUQJPQXKKHJMG-OAHLLOKOSA-N 1 0 339.483 3.323 10 10 EGCERO CC[C@@H]1C[N@H+](Cc2cc(Cl)cc(C)c2O)C[C@@]2(CCOC2)O1 ZINC000373484797 458506775 /nfs/dbraw/zinc/50/67/75/458506775.db2.gz YDOYLCVEKJNDPN-NVXWUHKLSA-N 1 0 325.836 3.124 10 10 EGCERO CC[C@@H]([NH2+]Cc1cnn(CC)n1)c1ccc(C(F)(F)F)cc1O ZINC000527922158 459773528 /nfs/dbraw/zinc/77/35/28/459773528.db2.gz CKTMOJOOYCAGJY-CYBMUJFWSA-N 1 0 328.338 3.263 10 10 EGCERO Cc1cc(Br)cc(C[NH2+]CC[C@H]2CCCOC2)c1O ZINC000529637248 459831841 /nfs/dbraw/zinc/83/18/41/459831841.db2.gz QOCBUPSOZBHKSO-GFCCVEGCSA-N 1 0 328.250 3.369 10 10 EGCERO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NC2CC=CC2)C1 ZINC000683446445 550230236 /nfs/dbraw/zinc/23/02/36/550230236.db2.gz BJXJUMGSBHYXSY-UHFFFAOYSA-N 1 0 337.467 3.243 10 10 EGCERO CC(C)(C)OC(=O)C1CC[NH+](Cc2cc3c(cc2O)CCC3)CC1 ZINC000727427157 574666476 /nfs/dbraw/zinc/66/64/76/574666476.db2.gz IUPVXIHOVYLKBS-UHFFFAOYSA-N 1 0 331.456 3.435 10 10 EGCERO O=c1ccc2c([nH]1)CCC[C@@H]2[NH2+]Cc1cc(Br)ccc1O ZINC000728782960 574770981 /nfs/dbraw/zinc/77/09/81/574770981.db2.gz VDXXPRJMRBAXBZ-ZDUSSCGKSA-N 1 0 349.228 3.423 10 10 EGCERO CCCN(CCC)c1ccc(C[NH2+]CCN2CCOC[C@H]2C)cc1 ZINC000729679375 574877898 /nfs/dbraw/zinc/87/78/98/574877898.db2.gz ZPOQXPSIHJGISK-GOSISDBHSA-N 1 0 333.520 3.123 10 10 EGCERO CCN(CC)c1ccc(C[NH2+][C@H]2CCN(c3ccccc3)C2=O)cc1 ZINC000731678725 575199732 /nfs/dbraw/zinc/19/97/32/575199732.db2.gz JJXJXXPQAXMFRK-FQEVSTJZSA-N 1 0 337.467 3.428 10 10 EGCERO COc1ccccc1CC[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000093105182 1292907178 /nfs/dbraw/zinc/90/71/78/1292907178.db2.gz ZHOHUTWUNRHFQF-UHFFFAOYSA-N 1 0 340.467 3.206 10 10 EGCERO COc1ccc(C[N@H+](C)C2CCN(Cc3ccccc3)CC2)c(O)c1 ZINC000119332316 1293265025 /nfs/dbraw/zinc/26/50/25/1293265025.db2.gz GZQUIOOFWOGBJW-UHFFFAOYSA-N 1 0 340.467 3.497 10 10 EGCERO Cc1cc(C)c(O)c(C[N@@H+](C)Cc2cn(C)nc2C(F)(F)F)c1 ZINC000164541205 1294349813 /nfs/dbraw/zinc/34/98/13/1294349813.db2.gz WTTYWPYUDQKRCT-UHFFFAOYSA-N 1 0 327.350 3.393 10 10 EGCERO COc1ccc(N2CC[NH+](C3CC(OC(C)(C)C)C3)CC2)c(OC)c1 ZINC000879461716 1300550853 /nfs/dbraw/zinc/55/08/53/1300550853.db2.gz HIHBGLMLRLHUCR-UHFFFAOYSA-N 1 0 348.487 3.172 10 10 EGCERO C[C@@H]1OC[C@]2(CC[C@H](C[NH2+]Cc3cc(Cl)ccc3O)O2)[C@H]1C ZINC000886340508 1303442447 /nfs/dbraw/zinc/44/24/47/1303442447.db2.gz HUPZPCOTUBIUIE-ZILJWTLNSA-N 1 0 325.836 3.108 10 10 EGCERO CC1(C)COC[C@H]1[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000894216486 1306284125 /nfs/dbraw/zinc/28/41/25/1306284125.db2.gz PCXIKRQTJUADMM-MRXNPFEDSA-N 1 0 340.414 3.271 10 10 EGCERO COc1cc(C)cc(C[NH2+][C@@H]2CCc3cnn(C(C)C)c3C2)c1O ZINC000894543472 1308948073 /nfs/dbraw/zinc/94/80/73/1308948073.db2.gz QYYTXQDBMLAAPD-MRXNPFEDSA-N 1 0 329.444 3.134 10 10 EGCERO COC(=O)c1c(C[NH2+][C@H]2CS[C@@H](C)C2)c2cc(F)ccc2n1C ZINC000894993413 1309147494 /nfs/dbraw/zinc/14/74/94/1309147494.db2.gz RUUBLWBJYUBHOV-CMPLNLGQSA-N 1 0 336.432 3.088 10 10 EGCERO Cc1cc(O)c(C[NH2+]C[C@H](O)C(F)(F)C(F)(F)F)cc1Cl ZINC000895676900 1309460612 /nfs/dbraw/zinc/46/06/12/1309460612.db2.gz DULJPTSBCIVCCO-JTQLQIEISA-N 1 0 333.684 3.002 10 10 EGCERO COc1cc(O)c(C[NH2+]C[C@@]2(C)CCOC3(CCC3)C2)cc1OC ZINC000895821413 1309536417 /nfs/dbraw/zinc/53/64/17/1309536417.db2.gz KWNCRJDVYVITAU-SFHVURJKSA-N 1 0 335.444 3.238 10 10 EGCERO Oc1cc2c(cc1C[N@@H+]1CCC[C@H]1Cc1cccc(F)c1)OCO2 ZINC000917473885 1319816448 /nfs/dbraw/zinc/81/64/48/1319816448.db2.gz DSTAFEMQBYEZAQ-INIZCTEOSA-N 1 0 329.371 3.467 10 10 EGCERO Cc1cc(C(=O)NCC[N@H+]2CCCC[C@H]2C)c(C)n1-c1ccccn1 ZINC000919747442 1322102550 /nfs/dbraw/zinc/10/25/50/1322102550.db2.gz QHKVGRFEXIULPT-OAHLLOKOSA-N 1 0 340.471 3.093 10 10 EGCERO O=C([C@@H]1CC[C@H]([NH2+]Cc2ccc3c(c2)CCCO3)C1)N1CCCCC1 ZINC000922091298 1322453555 /nfs/dbraw/zinc/45/35/55/1322453555.db2.gz GONREZURNBKGHC-MOPGFXCFSA-N 1 0 342.483 3.282 10 10 EGCERO COc1ccc(N2CC[C@@H]([NH2+]Cc3nccc4c3CCCC4)C2)cc1 ZINC000922237628 1322485125 /nfs/dbraw/zinc/48/51/25/1322485125.db2.gz LWFGIXFSXVRTKJ-QGZVFWFLSA-N 1 0 337.467 3.338 10 10 EGCERO COc1ccc(N2CCC([NH2+]C3([C@@H]4CCCCO4)CC3)CC2)cc1 ZINC000923027375 1322677972 /nfs/dbraw/zinc/67/79/72/1322677972.db2.gz AYDYOAQLJLBDFE-IBGZPJMESA-N 1 0 330.472 3.355 10 10 EGCERO C[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1ccnn1C1CCC1 ZINC000924753631 1323144950 /nfs/dbraw/zinc/14/49/50/1323144950.db2.gz ZHZSQXIAEHPCAX-INIZCTEOSA-N 1 0 340.471 3.296 10 10 EGCERO CC1CCN(c2ccc(C[NH2+][C@H]3CCOC34CCOCC4)cc2)CC1 ZINC000925010938 1323243342 /nfs/dbraw/zinc/24/33/42/1323243342.db2.gz IUZRWSCDQYGJPT-FQEVSTJZSA-N 1 0 344.499 3.351 10 10 EGCERO COc1ccc(N2CC[C@H](C[NH2+][C@@H]3CCCc4oc(C)nc43)C2)cc1 ZINC000926610500 1327634471 /nfs/dbraw/zinc/63/44/71/1327634471.db2.gz DTVVTXGCDUYOHL-CRAIPNDOSA-N 1 0 341.455 3.485 10 10 EGCERO Cc1nc(C)c(C[NH2+][C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)o1 ZINC000862280332 1329473795 /nfs/dbraw/zinc/47/37/95/1329473795.db2.gz YQXJDFWWUSTXSK-INIZCTEOSA-N 1 0 349.862 3.405 10 10 EGCERO C[C@@](CO)([NH2+]Cc1ccc(N2CCCCC2)cc1)c1cccc(O)c1 ZINC000862431875 1329486339 /nfs/dbraw/zinc/48/63/39/1329486339.db2.gz OOUDWZUCWQWCGO-NRFANRHFSA-N 1 0 340.467 3.380 10 10 EGCERO CCN(CC)c1ccc(C[N@@H+]2CC[C@H]3CC[C@@H](C2)[S@@]3=O)cc1F ZINC000862527537 1329492218 /nfs/dbraw/zinc/49/22/18/1329492218.db2.gz QCBANLJJXIHWMJ-VBURHUQHSA-N 1 0 338.492 3.157 10 10 EGCERO CN(C)c1ccc(C[N@@H+]2C[C@@H]3CCC[C@]3(CO)C2)c(C(F)(F)F)c1 ZINC000862528738 1329492574 /nfs/dbraw/zinc/49/25/74/1329492574.db2.gz HWEVCNVCPZUWFR-WMLDXEAASA-N 1 0 342.405 3.366 10 10 EGCERO C[C@@H](C[N@H+](C)Cc1cc2c(cc1O)CCC2)NC(=O)OC(C)(C)C ZINC000863334922 1329547396 /nfs/dbraw/zinc/54/73/96/1329547396.db2.gz DZRCGRATCAYTII-ZDUSSCGKSA-N 1 0 334.460 3.226 10 10 EGCERO C[C@H]1CC[C@H](NCc2ccc(OCc3ccccc3)cc2O)C[NH2+]1 ZINC000863485130 1329557773 /nfs/dbraw/zinc/55/77/73/1329557773.db2.gz VBOFKIMIRZTNHW-YJBOKZPZSA-N 1 0 326.440 3.201 10 10 EGCERO COc1ccc(N2CCC([NH2+]C[C@@H]3C[C@H]3C3CCOCC3)CC2)cc1 ZINC000865783054 1329738089 /nfs/dbraw/zinc/73/80/89/1329738089.db2.gz FQXDVALWHMKURD-UWJYYQICSA-N 1 0 344.499 3.316 10 10 EGCERO c1ccc([C@]23C[C@H]2C[N@@H+](Cc2ccc(N4CCOCC4)cc2)C3)cc1 ZINC000931918454 1329771246 /nfs/dbraw/zinc/77/12/46/1329771246.db2.gz OSXVZOWZEDHXKA-RBBKRZOGSA-N 1 0 334.463 3.297 10 10 EGCERO C[C@H]([NH2+]CC[C@@H](O)C(F)F)c1ccc(N2CCCCC2)c(F)c1 ZINC000866442166 1330113024 /nfs/dbraw/zinc/11/30/24/1330113024.db2.gz FWUSGGVGRZLWQN-BLLLJJGKSA-N 1 0 330.394 3.483 10 10 EGCERO CC[C@@H]([NH2+]C1CCN(CC(=O)OC(C)(C)C)CC1)c1ccccc1O ZINC000866526971 1330121749 /nfs/dbraw/zinc/12/17/49/1330121749.db2.gz RQUSOGVAYIGRQN-QGZVFWFLSA-N 1 0 348.487 3.239 10 10 EGCERO COc1ccc(N2CC[NH+](C[C@@H]3CCC(C)(C)CO3)CC2)c(OC)c1 ZINC001197104514 1368744463 /nfs/dbraw/zinc/74/44/63/1368744463.db2.gz GKTQRIWAFCTZFO-KRWDZBQOSA-N 1 0 348.487 3.031 10 10 EGCERO CN(C)c1ccc(/C=C\C[N@@H+]2CCC[C@H](Cc3nccn3C)C2)cc1 ZINC001117830206 1371097453 /nfs/dbraw/zinc/09/74/53/1371097453.db2.gz ANGNZHZTKSKDRE-GJEJWFRCSA-N 1 0 338.499 3.454 10 10 EGCERO CC(C)C[NH+]1CCC(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)CC1 ZINC001138364212 1377710506 /nfs/dbraw/zinc/71/05/06/1377710506.db2.gz UXMBLHXZFUIHAN-MRXNPFEDSA-N 1 0 331.504 3.298 10 10 EGCERO CCC[N@@H+]1CCC[C@@H](C(=O)N(CC)Cc2ccc(N(C)C)cc2)C1 ZINC001142416982 1378441531 /nfs/dbraw/zinc/44/15/31/1378441531.db2.gz KSVPDLMZFTWNEC-GOSISDBHSA-N 1 0 331.504 3.223 10 10 EGCERO COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)Cc2cccs2)cc1C ZINC001283553961 1379015117 /nfs/dbraw/zinc/01/51/17/1379015117.db2.gz NFNLXAOVBQCUAI-HNNXBMFYSA-N 1 0 346.496 3.244 10 10 EGCERO Cc1cc(C(=O)NCC2([NH+](C)C)CC2)c(C)n1-c1ccccc1C ZINC001299564507 1383570243 /nfs/dbraw/zinc/57/02/43/1383570243.db2.gz MYLGDAOXRHGGEQ-UHFFFAOYSA-N 1 0 325.456 3.227 10 10 EGCERO O=C(NCc1ccc(N2CCCCC2)cc1)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001299788260 1383628349 /nfs/dbraw/zinc/62/83/49/1383628349.db2.gz GJJVSKYDEWBJPT-PMACEKPBSA-N 1 0 341.499 3.310 10 10 EGCERO CCC1CCC([N@H+](C)CC(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC001167586881 1383681323 /nfs/dbraw/zinc/68/13/23/1383681323.db2.gz RSWNIXPYVAGNCH-UHFFFAOYSA-N 1 0 331.504 3.269 10 10 EGCERO COC1CCN(c2ccc(C[N@@H+]3CC[C@@H]4[C@H](C3)C4(F)F)cc2)CC1 ZINC001168308312 1383869015 /nfs/dbraw/zinc/86/90/15/1383869015.db2.gz GSCZOBDMXDMZIE-MSOLQXFVSA-N 1 0 336.426 3.389 10 10 EGCERO CC/C=C\CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001318374382 1385658942 /nfs/dbraw/zinc/65/89/42/1385658942.db2.gz OVQDXMCRXAEWOZ-FETBWYICSA-N 1 0 343.431 3.009 10 10 EGCERO CC/C=C/CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001318374385 1385659278 /nfs/dbraw/zinc/65/92/78/1385659278.db2.gz OVQDXMCRXAEWOZ-LYKJZRICSA-N 1 0 343.431 3.009 10 10 EGCERO COc1ccc(C[NH2+][C@@H](CCNC(C)=O)Cc2ccccc2)cc1C ZINC001332220035 1390052166 /nfs/dbraw/zinc/05/21/66/1390052166.db2.gz RLXRXSATVJBSPA-FQEVSTJZSA-N 1 0 340.467 3.231 10 10 EGCERO C[C@@H](NC(=O)[C@H]1CC[C@H]2C[C@@H](C)C[N@@H+]2C1)c1ccc(N(C)C)cc1 ZINC001346765260 1390978135 /nfs/dbraw/zinc/97/81/35/1390978135.db2.gz VCQPGEZOSSIJGJ-RRIFGTCXSA-N 1 0 329.488 3.050 10 10 EGCERO CC/C(C)=C/C(=O)NC[C@H]([NH2+]Cc1ccc(OC)c(C)c1)C1CC1 ZINC001480018417 1392536972 /nfs/dbraw/zinc/53/69/72/1392536972.db2.gz RZKMFDDHBGRGKR-MDNBWPLSSA-N 1 0 330.472 3.344 10 10 EGCERO COc1ccc(C[NH2+][C@H](C)CNC(=O)C=C2CCCCC2)cc1C ZINC001480432253 1392753113 /nfs/dbraw/zinc/75/31/13/1392753113.db2.gz HTTSWYMWZWHUQO-MRXNPFEDSA-N 1 0 330.472 3.488 10 10 EGCERO COc1ccc(C[NH2+][C@@H](C)CNC(=O)c2cccc(F)c2)cc1C ZINC001491382204 1394515014 /nfs/dbraw/zinc/51/50/14/1394515014.db2.gz RJKDEIXVGLQTFH-AWEZNQCLSA-N 1 0 330.403 3.051 10 10 EGCERO COc1ccc(C[NH2+]C[C@]2(C)CCN(C(=O)C3=CCCC3)C2)cc1C ZINC001484086525 1395243363 /nfs/dbraw/zinc/24/33/63/1395243363.db2.gz CFGAULCDRIXNLY-NRFANRHFSA-N 1 0 342.483 3.442 10 10 EGCERO COc1ccc(C[NH2+][C@@H](C)[C@H](C)NC(=O)c2ccccc2)cc1C ZINC001485115437 1395663890 /nfs/dbraw/zinc/66/38/90/1395663890.db2.gz FEWJCGDGBHBRNY-HOTGVXAUSA-N 1 0 326.440 3.300 10 10 EGCERO CC/C(C)=C\C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001485682626 1396103423 /nfs/dbraw/zinc/10/34/23/1396103423.db2.gz PYCPXVVRGRUVSY-UXUYHWSZSA-N 1 0 330.472 3.344 10 10 EGCERO COc1ccc(C[NH2+]CCC[C@H](C)NC(=O)[C@H]2CC23CC3)cc1C ZINC001485740198 1396127097 /nfs/dbraw/zinc/12/70/97/1396127097.db2.gz JBJCWRAOZOVXKB-DOTOQJQBSA-N 1 0 330.472 3.178 10 10 EGCERO COc1ccc(C[NH2+][C@@H](C)CCNC(=O)C2C=CC=CC=C2)cc1C ZINC001503223288 1396248622 /nfs/dbraw/zinc/24/86/22/1396248622.db2.gz SLUXKSQLVIEIME-KRWDZBQOSA-N 1 0 340.467 3.286 10 10 EGCERO C[C@@H](NC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C)C(C)(C)C ZINC001687807813 1396498895 /nfs/dbraw/zinc/49/88/95/1396498895.db2.gz WBVVQJFYZFSAHW-RHSMWYFYSA-N 1 0 334.508 3.089 10 10 EGCERO CCC[N@@H+]1CCC[C@@H]1CCCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001690919647 1404831011 /nfs/dbraw/zinc/83/10/11/1404831011.db2.gz VPIBWINWPGVNHY-INIZCTEOSA-N 1 0 345.447 3.233 10 10 EGCERO COc1ccc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@]3(C)C=CCC3)C2)cc1C ZINC001691514719 1405314553 /nfs/dbraw/zinc/31/45/53/1405314553.db2.gz RALNSTBQLYPHFT-DBXWQHBBSA-N 1 0 342.483 3.344 10 10 EGCERO COc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]2CC=CCC2)cc1C ZINC001732409735 1428570441 /nfs/dbraw/zinc/57/04/41/1428570441.db2.gz WVVCXPVUNKVMFR-AEFFLSMTSA-N 1 0 330.472 3.296 10 10 EGCERO COc1ccc(C[NH2+]CC[C@H](C)NC(=O)c2cccc(C)n2)cc1C ZINC001732673906 1428902077 /nfs/dbraw/zinc/90/20/77/1428902077.db2.gz QFXGHYWFDQONFM-INIZCTEOSA-N 1 0 341.455 3.005 10 10 EGCERO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)C(C)=C2CCCC2)cc1C ZINC001732952054 1429076185 /nfs/dbraw/zinc/07/61/85/1429076185.db2.gz JREPIJDZCNRPFG-OAHLLOKOSA-N 1 0 330.472 3.488 10 10 EGCERO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)C[C@H]2CC=CCC2)cc1C ZINC001732967019 1429091976 /nfs/dbraw/zinc/09/19/76/1429091976.db2.gz DNGJAIBDNQDAGH-SJORKVTESA-N 1 0 330.472 3.344 10 10 EGCERO COc1ccc(C[NH2+][C@@H](C)CNC(=O)c2occc2Cl)cc1C ZINC001713337818 1417961599 /nfs/dbraw/zinc/96/15/99/1417961599.db2.gz XZTXKSPQKVEKNH-LBPRGKRZSA-N 1 0 336.819 3.158 10 10 EGCERO CCCCC[NH2+]C[C@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001713365298 1417978531 /nfs/dbraw/zinc/97/85/31/1417978531.db2.gz GVKYKHVNGNKDBW-CQSZACIVSA-N 1 0 345.447 3.091 10 10 EGCERO CC[C@@H](CNC(=O)c1cc(C)co1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001715069223 1419804561 /nfs/dbraw/zinc/80/45/61/1419804561.db2.gz CUDGZZUDWOQFMF-INIZCTEOSA-N 1 0 330.428 3.203 10 10 EGCERO CCc1[nH]ccc1C(=O)N(C)[C@@H](C)C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001715335586 1420039750 /nfs/dbraw/zinc/03/97/50/1420039750.db2.gz RELASPPYOBJVFV-HNNXBMFYSA-N 1 0 343.471 3.144 10 10 EGCERO COc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)c2ccc(Cl)[nH]2)cc1C ZINC001715355143 1420055046 /nfs/dbraw/zinc/05/50/46/1420055046.db2.gz BZHSRYHAFLTCTL-ZDUSSCGKSA-N 1 0 349.862 3.235 10 10 EGCERO COc1ccc(C[NH2+]CC[C@@H]2CCCCN2C(=O)C2CC2)cc1C ZINC001715419796 1420112796 /nfs/dbraw/zinc/11/27/96/1420112796.db2.gz GEEXHOSSGQSTSA-SFHVURJKSA-N 1 0 330.472 3.274 10 10 EGCERO COc1ccc(C[NH2+]CC[C@@H](C)NC(=O)[C@@H](C)n2cccc2)cc1C ZINC001715632216 1420272567 /nfs/dbraw/zinc/27/25/67/1420272567.db2.gz DZKJFRIGGXUIAW-IAGOWNOFSA-N 1 0 343.471 3.051 10 10 EGCERO COc1ccc(C[NH2+]C/C=C\CNC(=O)c2ccc(Cl)[nH]2)cc1C ZINC001715865615 1420373346 /nfs/dbraw/zinc/37/33/46/1420373346.db2.gz IPXNPTRNZAKTJC-ARJAWSKDSA-N 1 0 347.846 3.061 10 10 EGCERO COc1ccc(C[NH2+]C[C@H](C)NC(=O)[C@@H]2CCC(C)(C)C2)cc1C ZINC001715995752 1420450089 /nfs/dbraw/zinc/45/00/89/1420450089.db2.gz PTAZDLBLELCPQU-DOTOQJQBSA-N 1 0 332.488 3.424 10 10 EGCERO COc1ccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)C(C2CC2)C2CC2)cc1C ZINC001717432229 1421360327 /nfs/dbraw/zinc/36/03/27/1421360327.db2.gz DMMMTKCFDIPHKL-HUUCEWRRSA-N 1 0 344.499 3.423 10 10 EGCERO COc1ccc(C[NH2+]C2(CNC(=O)c3coc(C)c3)CCC2)cc1C ZINC001724781778 1425147104 /nfs/dbraw/zinc/14/71/04/1425147104.db2.gz CRPSEUHOMJPWNX-UHFFFAOYSA-N 1 0 342.439 3.347 10 10 EGCERO COc1ccc(C[NH2+][C@@H](CNC(=O)C[C@H]2C=CCC2)C2CC2)cc1C ZINC001731397895 1427356300 /nfs/dbraw/zinc/35/63/00/1427356300.db2.gz ZEAWVVHDFLZXDK-LPHOPBHVSA-N 1 0 342.483 3.344 10 10 EGCERO CCC(=CC(=O)N1CC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1)CC ZINC001731432794 1427414541 /nfs/dbraw/zinc/41/45/41/1427414541.db2.gz BVZWHRCNJJPFFF-SFHVURJKSA-N 1 0 330.472 3.441 10 10 EGCERO CCN(C)c1ccc(C[NH2+][C@](C)(CO)Cc2ccccc2F)cc1 ZINC001620624546 1126241756 /nfs/dbraw/zinc/24/17/56/1126241756.db2.gz ZKOHKLNFPIOGNO-FQEVSTJZSA-N 1 0 330.447 3.365 10 10 EGCERO CC[C@@H]([NH2+]Cc1ccnc(C)n1)c1cc(Br)ccc1O ZINC000038037434 213195399 /nfs/dbraw/zinc/19/53/99/213195399.db2.gz JYAZJEZJWHLMLX-CQSZACIVSA-N 1 0 336.233 3.494 10 10 EGCERO COc1ccc(O)c(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2ccccc2)c1 ZINC000180667285 455222850 /nfs/dbraw/zinc/22/28/50/455222850.db2.gz IJEHCCOOSZPCJL-XLIONFOSSA-N 1 0 327.424 3.489 10 10 EGCERO Cc1cc(C[NH2+]Cc2ccc(N3CCOCC3)cc2)cc(C)c1O ZINC000067222312 453911654 /nfs/dbraw/zinc/91/16/54/453911654.db2.gz FDYKCFOSTBCXDU-UHFFFAOYSA-N 1 0 326.440 3.135 10 10 EGCERO CC(=O)N1CC[C@H]([NH2+]Cc2ccc(N3CCCCC3)cc2)[C@@H](C)C1 ZINC000084714883 454006600 /nfs/dbraw/zinc/00/66/00/454006600.db2.gz PLEWMJQRXFZMCP-JXFKEZNVSA-N 1 0 329.488 3.023 10 10 EGCERO Cc1ccc(C[NH2+][C@H](C)c2ccc(N3CCN(C)CC3)c(F)c2)o1 ZINC000071825364 454226149 /nfs/dbraw/zinc/22/61/49/454226149.db2.gz UJHZCIPBAINJKB-OAHLLOKOSA-N 1 0 331.435 3.330 10 10 EGCERO CC(=O)N1CC[C@H]([NH2+]Cc2ccc(N3CCCCCC3)cc2)[C@H](C)C1 ZINC000089937492 454241022 /nfs/dbraw/zinc/24/10/22/454241022.db2.gz WBEGZDSPKJZTFM-UTKZUKDTSA-N 1 0 343.515 3.414 10 10 EGCERO Cc1ccc(O)c(C[N@H+](C)C[C@H](c2cccs2)N2CCOCC2)c1 ZINC000121740414 454471619 /nfs/dbraw/zinc/47/16/19/454471619.db2.gz BSIIHGBOPMWBRQ-QGZVFWFLSA-N 1 0 346.496 3.267 10 10 EGCERO CCOc1ccc(O)c(C[N@@H+]2CC[C@@H](CNc3ccccn3)C2)c1 ZINC000092812856 454638624 /nfs/dbraw/zinc/63/86/24/454638624.db2.gz IQFOZTORZPUPIG-HNNXBMFYSA-N 1 0 327.428 3.120 10 10 EGCERO CN(C)c1ccc(C[NH2+]C2CCN(C(=O)c3ccccc3)CC2)cc1 ZINC000191618949 455504896 /nfs/dbraw/zinc/50/48/96/455504896.db2.gz MQNJMIVBHPKWMO-UHFFFAOYSA-N 1 0 337.467 3.147 10 10 EGCERO COc1cc(O)c(C[N@@H+]2CC[C@H](Nc3ccccc3)C2)cc1OC ZINC000179949987 455104245 /nfs/dbraw/zinc/10/42/45/455104245.db2.gz GRGYOCJFDKRTPG-INIZCTEOSA-N 1 0 328.412 3.096 10 10 EGCERO CC(C)c1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)CC2 ZINC000180644762 455217562 /nfs/dbraw/zinc/21/75/62/455217562.db2.gz COTKUHQHYSERFX-GOEBONIOSA-N 1 0 327.476 3.133 10 10 EGCERO CC[C@H]([NH2+]CC1(C)OCCCO1)c1cc(Br)ccc1O ZINC000190644363 455358413 /nfs/dbraw/zinc/35/84/13/455358413.db2.gz MNBLEWAGVUKJEQ-ZDUSSCGKSA-N 1 0 344.249 3.349 10 10 EGCERO COc1ccc(N2CCC([NH2+]C[C@@H](CO)c3ccccc3)CC2)cc1 ZINC000161488873 455574780 /nfs/dbraw/zinc/57/47/80/455574780.db2.gz SGMBOTROLAELNW-SFHVURJKSA-N 1 0 340.467 3.030 10 10 EGCERO CC(C)(C)[C@H](O)C[C@@H](CO)[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000284178491 455647394 /nfs/dbraw/zinc/64/73/94/455647394.db2.gz XLOVZIISVLYUBX-AZUAARDMSA-N 1 0 343.467 3.307 10 10 EGCERO Cc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000186096831 455693610 /nfs/dbraw/zinc/69/36/10/455693610.db2.gz WALQAHQNRZZTQD-SJCJKPOMSA-N 1 0 326.444 3.357 10 10 EGCERO Cc1cc(C[NH2+]Cc2cc(Cl)cc(C)c2O)nc(N2CCCC2)n1 ZINC000292781187 455755636 /nfs/dbraw/zinc/75/56/36/455755636.db2.gz LKIADLXLTSLJHO-UHFFFAOYSA-N 1 0 346.862 3.342 10 10 EGCERO CC[C@H]([NH2+][C@@H](C)c1cc(Br)ccc1O)[C@@H](O)C(F)F ZINC000296307019 455905115 /nfs/dbraw/zinc/90/51/15/455905115.db2.gz GEKCYGNMJPVNTL-VIRWGQHYSA-N 1 0 338.192 3.210 10 10 EGCERO CC[C@H]([NH2+][C@@H](C)c1ccc(Br)cc1O)[C@H](O)C(F)F ZINC000296563010 455974434 /nfs/dbraw/zinc/97/44/34/455974434.db2.gz SJSPWQSWDOGSJD-JWYUURKGSA-N 1 0 338.192 3.210 10 10 EGCERO COc1cccc(C[N@H+](C)[C@H]2CCN(Cc3ccccc3)C2)c1O ZINC000271039907 456107817 /nfs/dbraw/zinc/10/78/17/456107817.db2.gz LZIJFEAUTOAWCU-SFHVURJKSA-N 1 0 326.440 3.107 10 10 EGCERO Cc1cc(Br)cc(C[N@@H+]2CC[C@H]3OCC[C@H]3C2)c1O ZINC000373898236 457389695 /nfs/dbraw/zinc/38/96/95/457389695.db2.gz NFNFISFJKMLTKZ-SMDDNHRTSA-N 1 0 326.234 3.074 10 10 EGCERO Cc1cc(Cl)cc(C[NH+]2CCC(OC[C@@H]3CCOC3)CC2)c1O ZINC000374912275 457733762 /nfs/dbraw/zinc/73/37/62/457733762.db2.gz NWRUJBUBQDHFMD-CQSZACIVSA-N 1 0 339.863 3.372 10 10 EGCERO C[C@@H]1C[C@]2(CCO1)C[N@@H+](Cc1cc(Cl)ccc1O)C[C@H](C)O2 ZINC000366790790 457898876 /nfs/dbraw/zinc/89/88/76/457898876.db2.gz BFGNNARNFBOMLC-IIYDPXPESA-N 1 0 325.836 3.204 10 10 EGCERO CCOc1ccc(O)c(C[NH2+]C[C@]2(C)COc3ccccc3O2)c1 ZINC000527737328 459719884 /nfs/dbraw/zinc/71/98/84/459719884.db2.gz UKKJGACOPXFJIH-LJQANCHMSA-N 1 0 329.396 3.111 10 10 EGCERO COc1cc(O)c(C[NH2+][C@H](c2ccccn2)C2CCC2)cc1OC ZINC000529643981 459831792 /nfs/dbraw/zinc/83/17/92/459831792.db2.gz MXFZWLWRGWPEHV-IBGZPJMESA-N 1 0 328.412 3.435 10 10 EGCERO C[NH+](C)CCn1cc(NCc2cc(-c3ccccc3)ccc2O)cn1 ZINC000727470558 574669750 /nfs/dbraw/zinc/66/97/50/574669750.db2.gz BTLTYNZDTIQQHN-UHFFFAOYSA-N 1 0 336.439 3.429 10 10 EGCERO CCC[N@@H+]1CCC[C@H]1C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000731015867 575044602 /nfs/dbraw/zinc/04/46/02/575044602.db2.gz KUBPSHZVPNLVPZ-FQEVSTJZSA-N 1 0 343.515 3.414 10 10 EGCERO OC1(C[NH2+]Cc2ccc(N3CCCCC3)cc2)Cc2ccccc2C1 ZINC000738439422 576326248 /nfs/dbraw/zinc/32/62/48/576326248.db2.gz JEMRIZBIDNPRPT-UHFFFAOYSA-N 1 0 336.479 3.296 10 10 EGCERO Cn1ccnc1C[C@H]([NH2+]Cc1ccc2c(c1)CCO2)c1ccccc1 ZINC000742387052 576777577 /nfs/dbraw/zinc/77/75/77/576777577.db2.gz CWXYHBDWLLVUIF-IBGZPJMESA-N 1 0 333.435 3.429 10 10 EGCERO C[N@@H+]1CCC[C@H](CNC(=O)C2=CC(=O)CS2)[C@@H]1c1cccs1 ZINC000743567313 576812288 /nfs/dbraw/zinc/81/22/88/576812288.db2.gz OUULBIOEZSYBRY-IAQYHMDHSA-N 1 0 336.482 3.328 10 10 EGCERO Cc1cc(Br)cc([C@H](C)N[C@@H]2CC[C@H](C)[NH2+]C2)c1O ZINC000863546345 1329562369 /nfs/dbraw/zinc/56/23/69/1329562369.db2.gz LQPKQFXOYMGJKJ-GMXVVIOVSA-N 1 0 327.266 3.254 10 10 EGCERO COc1ccc(C[C@@H](C)[NH2+]Cc2ccc(N(C)C)cc2)cc1OC ZINC000120567365 1293327671 /nfs/dbraw/zinc/32/76/71/1293327671.db2.gz VIYALOBKADPNMZ-OAHLLOKOSA-N 1 0 328.456 3.491 10 10 EGCERO CC[C@H]([NH2+][C@H](C)c1ccc(N2CCOCC2)cc1)[C@@H]1CCCOC1 ZINC000872026321 1296671731 /nfs/dbraw/zinc/67/17/31/1296671731.db2.gz COEIEXQXZCTGPA-POAQFYNOSA-N 1 0 332.488 3.379 10 10 EGCERO C[C@@H]([NH2+]CCC[C@@H]1CCOC1=O)c1cc(Br)ccc1O ZINC000872111308 1296737737 /nfs/dbraw/zinc/73/77/37/1296737737.db2.gz CKZMRROGSIIXGC-GHMZBOCLSA-N 1 0 342.233 3.149 10 10 EGCERO C[C@@H]1C[C@H]([NH2+]Cc2cccc(O)c2O)CCN1Cc1ccccc1 ZINC000379636849 1297534226 /nfs/dbraw/zinc/53/42/26/1297534226.db2.gz XXDUHRNFWYANHZ-CRAIPNDOSA-N 1 0 326.440 3.241 10 10 EGCERO CC(C)(C)OC(=O)N1CCC([NH2+]Cc2ccc3c(c2)CCO3)CC1 ZINC000393532152 1297669996 /nfs/dbraw/zinc/66/99/96/1297669996.db2.gz MHTZSXGLPUQMQR-UHFFFAOYSA-N 1 0 332.444 3.111 10 10 EGCERO Cc1cc(Br)cc(C[N@H+]2CC[C@H](OC(C)C)C2)c1O ZINC000706558754 1298221561 /nfs/dbraw/zinc/22/15/61/1298221561.db2.gz ZVLAIQIRPGXILI-AWEZNQCLSA-N 1 0 328.250 3.462 10 10 EGCERO [NH3+]CCN(Cc1ccccc1)Cc1c(O)cccc1Br ZINC000706833721 1298222394 /nfs/dbraw/zinc/22/23/94/1298222394.db2.gz CFLKYNJJJDLHER-UHFFFAOYSA-N 1 0 335.245 3.116 10 10 EGCERO CCOCc1cc(C[NH2+]C[C@@H](O)Cc2ccccc2F)ccc1OC ZINC000886232416 1303405929 /nfs/dbraw/zinc/40/59/29/1303405929.db2.gz WEMDAFZQCHOONL-SFHVURJKSA-N 1 0 347.430 3.064 10 10 EGCERO CC[C@H]1C[C@H]([NH2+]Cc2c3cc(F)ccc3n(C)c2C(=O)OC)CCO1 ZINC000895033456 1309165345 /nfs/dbraw/zinc/16/53/45/1309165345.db2.gz ALDLUWLZYSRIJV-KGLIPLIRSA-N 1 0 348.418 3.151 10 10 EGCERO COC(=O)c1c(C[NH2+]CC[C@@H]2CC2(F)F)c2cc(F)ccc2n1C ZINC000895375476 1309305168 /nfs/dbraw/zinc/30/51/68/1309305168.db2.gz BRTMVCUUMYVCRC-SNVBAGLBSA-N 1 0 340.345 3.239 10 10 EGCERO COc1cc(C)cc(C[N@@H+]2CC[C@@H](O)C[C@H]2c2ccccc2)c1O ZINC000895422816 1309330068 /nfs/dbraw/zinc/33/00/68/1309330068.db2.gz PCGYPCFBAVSQIU-MSOLQXFVSA-N 1 0 327.424 3.407 10 10 EGCERO Oc1cc(Br)ccc1C[N@@H+]1CC[C@@H]([C@H]2CCCO2)C1 ZINC000895845959 1309555639 /nfs/dbraw/zinc/55/56/39/1309555639.db2.gz SEAZPUUUXRCABD-IUODEOHRSA-N 1 0 326.234 3.156 10 10 EGCERO O=C(NC[C@@H]1CC[N@@H+]1C1CCCC1)c1cc2cc(O)c(O)cc2s1 ZINC000899142274 1310951145 /nfs/dbraw/zinc/95/11/45/1310951145.db2.gz UEZBJRYYCVILHJ-ZDUSSCGKSA-N 1 0 346.452 3.059 10 10 EGCERO Cc1ncccc1/C=C/C(=O)N1C[C@H]([NH+](C)C)CCc2ccccc21 ZINC000857927197 1328628617 /nfs/dbraw/zinc/62/86/17/1328628617.db2.gz ZLEOMKNMEQRHRY-XSSIKURBSA-N 1 0 335.451 3.313 10 10 EGCERO CN(C)c1cc(F)c(C[NH2+]CC2(O)CCC(F)(F)CC2)cc1F ZINC000858195419 1328709096 /nfs/dbraw/zinc/70/90/96/1328709096.db2.gz VYFPLQJDWAIFSL-UHFFFAOYSA-N 1 0 334.357 3.061 10 10 EGCERO CC[C@@H]([NH2+]Cc1ccc2oc(=O)n(C)c2c1)c1ccc(N(C)C)cc1 ZINC000858539563 1328791534 /nfs/dbraw/zinc/79/15/34/1328791534.db2.gz ZJWPMEFLEMFSKB-QGZVFWFLSA-N 1 0 339.439 3.438 10 10 EGCERO CC[NH+]1CCC(NC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)CC1 ZINC000915269089 1319457932 /nfs/dbraw/zinc/45/79/32/1319457932.db2.gz JTKIJVBQFCOBPV-UHFFFAOYSA-N 1 0 343.446 3.447 10 10 EGCERO CC1(C)C[C@H](C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C(C)(C)O1 ZINC000922948299 1322656094 /nfs/dbraw/zinc/65/60/94/1322656094.db2.gz GTVCHVQVNDTKLX-QGZVFWFLSA-N 1 0 346.515 3.331 10 10 EGCERO OC1CCN(c2ccc(C[NH2+]CC[C@@H]3CCC4(CCC4)O3)cc2)CC1 ZINC000922969130 1322665592 /nfs/dbraw/zinc/66/55/92/1322665592.db2.gz ZCYGBCRPSPUATB-FQEVSTJZSA-N 1 0 344.499 3.229 10 10 EGCERO COc1ccc(N2CC[NH+](C[C@H]3C[C@@H](C)O[C@@H](C)C3)CC2)c(OC)c1 ZINC000931530889 1329136921 /nfs/dbraw/zinc/13/69/21/1329136921.db2.gz SHXCQOLZKBLBAF-FVQHAEBGSA-N 1 0 348.487 3.029 10 10 EGCERO COc1ccc(N2CC[C@H](C[NH2+][C@H](C3CC3)C3CCOCC3)C2)cc1 ZINC000926612308 1327634405 /nfs/dbraw/zinc/63/44/05/1327634405.db2.gz OKBOMMIGKXLFBL-IIBYNOLFSA-N 1 0 344.499 3.316 10 10 EGCERO COc1ccc(N2CC[C@H]([NH2+][C@@H](C3CCC3)[C@@H]3CCOC3)C2)cc1 ZINC000926680243 1327662741 /nfs/dbraw/zinc/66/27/41/1327662741.db2.gz LCUBMPSIIWDILJ-UWVAXJGDSA-N 1 0 330.472 3.069 10 10 EGCERO CC(C)[C@@H](C(=O)NCc1ccc2cccnc2c1O)[NH+]1CCCCC1 ZINC000862028426 1329455996 /nfs/dbraw/zinc/45/59/96/1329455996.db2.gz ZAPGAOBQRFXGDQ-SFHVURJKSA-N 1 0 341.455 3.067 10 10 EGCERO COC[C@@]1(C)C[N@H+](Cc2cc(-c3ccccc3)ccc2O)CCO1 ZINC000862552344 1329496086 /nfs/dbraw/zinc/49/60/86/1329496086.db2.gz WUFXSSGHWNRYEF-HXUWFJFHSA-N 1 0 327.424 3.297 10 10 EGCERO C[C@H](N[C@@H]1CC[NH2+]C12CCC2)c1ccc(N2CCOCC2)cc1Cl ZINC000863540548 1329561770 /nfs/dbraw/zinc/56/17/70/1329561770.db2.gz BOZMVTZOAPZINR-KBXCAEBGSA-N 1 0 349.906 3.112 10 10 EGCERO CC[C@@H]1[NH2+]CC[C@H]1N[C@H](C)c1cc(Br)cc(C)c1O ZINC000863543606 1329561979 /nfs/dbraw/zinc/56/19/79/1329561979.db2.gz SHWZZGNFLKOKAU-DDTOSNHZSA-N 1 0 327.266 3.254 10 10 EGCERO COc1ccc(N2CC[C@H]([NH2+]Cc3cccc(NC(C)=O)c3)C2)cc1 ZINC000865622377 1329721470 /nfs/dbraw/zinc/72/14/70/1329721470.db2.gz UFRUSGDZDFSTHF-SFHVURJKSA-N 1 0 339.439 3.022 10 10 EGCERO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccc(C3(C)OCCO3)cc2)c1 ZINC000866422968 1330109751 /nfs/dbraw/zinc/10/97/51/1330109751.db2.gz URPBSKQZXOMFCA-AWEZNQCLSA-N 1 0 343.423 3.471 10 10 EGCERO CC[C@H]([NH2+]CC[C@H](O)C(F)F)c1ccc(C(F)(F)F)cc1O ZINC000866442749 1330112831 /nfs/dbraw/zinc/11/28/31/1330112831.db2.gz RJDLEVDSGCOJKG-QWRGUYRKSA-N 1 0 327.293 3.468 10 10 EGCERO CCOC(=O)c1cc(C[NH2+][C@@H]2C[C@@H](C)c3c2c(O)ccc3F)on1 ZINC000866515232 1330120686 /nfs/dbraw/zinc/12/06/86/1330120686.db2.gz DTABZOGOXAGCOZ-BXKDBHETSA-N 1 0 334.347 3.034 10 10 EGCERO COc1ccc(C[NH2+]C[C@@H](NC(=O)[C@]23C[C@H]2CCC3)C2CC2)cc1C ZINC001323036309 1387272617 /nfs/dbraw/zinc/27/26/17/1387272617.db2.gz SRPQOJUQAIVXMZ-DBXWQHBBSA-N 1 0 342.483 3.178 10 10 EGCERO COc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CC[C@H](OC)C2)c1O ZINC001332947336 1390221388 /nfs/dbraw/zinc/22/13/88/1390221388.db2.gz WVJVAHFWIVDMHU-WCQGTBRESA-N 1 0 344.249 3.381 10 10 EGCERO CN1CCN(c2ccc(C[NH2+]CC(C)(C)C(C)(F)F)cc2F)CC1 ZINC001118926535 1371251679 /nfs/dbraw/zinc/25/16/79/1371251679.db2.gz ORTDEDDYHMUQQY-UHFFFAOYSA-N 1 0 343.437 3.349 10 10 EGCERO CCC1(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)CCCC1 ZINC001134883209 1376766701 /nfs/dbraw/zinc/76/67/01/1376766701.db2.gz ZFWMISOOIQCILY-GOSISDBHSA-N 1 0 331.504 3.442 10 10 EGCERO COc1ccc(C[NH2+]C2(CNC(=O)C(C)(F)F)CCCC2)cc1C ZINC001270707747 1377612674 /nfs/dbraw/zinc/61/26/74/1377612674.db2.gz RSTKVNXTXXJDAT-UHFFFAOYSA-N 1 0 340.414 3.177 10 10 EGCERO C[C@@H](NC(=O)c1ccc(C[NH+]2CCCC2)o1)c1ccc(N(C)C)cc1 ZINC001154668003 1380327753 /nfs/dbraw/zinc/32/77/53/1380327753.db2.gz BFZBJGXEEZFNAO-OAHLLOKOSA-N 1 0 341.455 3.432 10 10 EGCERO COc1ccc(N(C)CC[N@H+](C)C[C@@H](O)c2ccc(Cl)cc2)cc1 ZINC001171730442 1384617220 /nfs/dbraw/zinc/61/72/20/1384617220.db2.gz UIGDMDRVYRDYPV-LJQANCHMSA-N 1 0 348.874 3.450 10 10 EGCERO C[C@@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)[NH2+]CCCC(C)(C)C ZINC001317287654 1385060788 /nfs/dbraw/zinc/06/07/88/1385060788.db2.gz DPXICDQYYQVUTO-ZDUSSCGKSA-N 1 0 347.463 3.383 10 10 EGCERO COc1ccc(C[NH2+][C@@H](C)CCNC(=O)c2cc(C)co2)cc1C ZINC001317404061 1385117535 /nfs/dbraw/zinc/11/75/35/1385117535.db2.gz KWOAVSFPTAETIW-HNNXBMFYSA-N 1 0 330.428 3.203 10 10 EGCERO CN(CC[NH2+]CCC1CCCC1)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001317664685 1385375748 /nfs/dbraw/zinc/37/57/48/1385375748.db2.gz HOTOSJKCWHJSKU-UHFFFAOYSA-N 1 0 345.447 3.091 10 10 EGCERO COc1ccc(C[NH2+][C@H](CNC(=O)c2cc(C)co2)C(C)C)cc1C ZINC001319935541 1386402390 /nfs/dbraw/zinc/40/23/90/1386402390.db2.gz JSROGUQFBSLRLG-QGZVFWFLSA-N 1 0 344.455 3.449 10 10 EGCERO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)C(C)(C)C(F)(F)F)cc1C ZINC001321713383 1386964261 /nfs/dbraw/zinc/96/42/61/1386964261.db2.gz NYMPTTSWSGZFGA-GFCCVEGCSA-N 1 0 346.393 3.186 10 10 EGCERO CCC(CC)C[N@H+](C)C[C@@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001322305381 1387151510 /nfs/dbraw/zinc/15/15/10/1387151510.db2.gz DKMCDRVSCYHJCT-CYBMUJFWSA-N 1 0 347.463 3.335 10 10 EGCERO C[C@H]([NH2+][C@H]1C[C@@H]2[C@H](C1)C2(F)F)c1ccc(N2CCOCC2)c(F)c1 ZINC001333322853 1390283663 /nfs/dbraw/zinc/28/36/63/1390283663.db2.gz RNEKTHXAEVLFGW-MHEUCROKSA-N 1 0 340.389 3.357 10 10 EGCERO CC/C=C\CC[NH2+][C@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001480625065 1392827963 /nfs/dbraw/zinc/82/79/63/1392827963.db2.gz YYLOODAVLOHPMT-BTVVXOBGSA-N 1 0 343.431 3.009 10 10 EGCERO COc1ccc(C[NH2+][C@@H](C)[C@H](C)NC(=O)c2ccncc2C)cc1C ZINC001485148584 1395668736 /nfs/dbraw/zinc/66/87/36/1395668736.db2.gz UVPRNMFAVWEISC-HOTGVXAUSA-N 1 0 341.455 3.004 10 10 EGCERO C/C=C(\C)C(=O)N1CC[C@](C)(C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001500335926 1396186814 /nfs/dbraw/zinc/18/68/14/1396186814.db2.gz XSJVEUVEQLMQJR-ROEYRDASSA-N 1 0 330.472 3.298 10 10 EGCERO CCC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001496492473 1396710082 /nfs/dbraw/zinc/71/00/82/1396710082.db2.gz UOMUBNHVHZJKFM-BBRMVZONSA-N 1 0 345.447 3.089 10 10 EGCERO CC[C@H](CNC(=O)C1CC(C)(C)C1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001698596953 1406221491 /nfs/dbraw/zinc/22/14/91/1406221491.db2.gz FEWHOCGQZQGKKN-QGZVFWFLSA-N 1 0 332.488 3.424 10 10 EGCERO COc1ccc(C[NH2+]C/C=C/CNC(=O)C2(F)CCCCC2)cc1C ZINC001699331176 1412643422 /nfs/dbraw/zinc/64/34/22/1412643422.db2.gz OXZKYVTXDSVEDO-VOTSOKGWSA-N 1 0 348.462 3.438 10 10 EGCERO COc1ccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)C2(CF)CCC2)cc1C ZINC001700414466 1413958206 /nfs/dbraw/zinc/95/82/06/1413958206.db2.gz BHPPHJRLYOUFPS-HUUCEWRRSA-N 1 0 336.451 3.126 10 10 EGCERO COc1ccc(C[NH2+]C/C=C/CNC(=O)c2sccc2C)cc1C ZINC001732816073 1428992754 /nfs/dbraw/zinc/99/27/54/1428992754.db2.gz GTMYDTNPCCUYSA-SNAWJCMRSA-N 1 0 344.480 3.449 10 10 EGCERO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)C[C@@H]2CC=CCC2)cc1C ZINC001732967018 1429092020 /nfs/dbraw/zinc/09/20/20/1429092020.db2.gz DNGJAIBDNQDAGH-IAGOWNOFSA-N 1 0 330.472 3.344 10 10 EGCERO CCCc1occc1C(=O)N[C@H](C)C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001732978186 1429104948 /nfs/dbraw/zinc/10/49/48/1429104948.db2.gz OMGVUPFDZREQMH-OAHLLOKOSA-N 1 0 344.455 3.457 10 10 EGCERO CCCCCC[NH+]1CC(CNC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001713926265 1418718571 /nfs/dbraw/zinc/71/85/71/1418718571.db2.gz DGOBEXUCETZEPY-UHFFFAOYSA-N 1 0 345.447 3.091 10 10 EGCERO COc1ccc(C[NH2+]C[C@@H](NC(=O)[C@H]2C[C@H]3C[C@H]3C2)C2CC2)cc1C ZINC001733180423 1429282600 /nfs/dbraw/zinc/28/26/00/1429282600.db2.gz HLAHDSZEXTXPMR-YDZRNGNQSA-N 1 0 342.483 3.034 10 10 EGCERO COc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)[C@H](C)C(C)(F)F)cc1C ZINC001715366049 1420063036 /nfs/dbraw/zinc/06/30/36/1420063036.db2.gz UMGDESDVSHIMLZ-KGLIPLIRSA-N 1 0 342.430 3.231 10 10 EGCERO COc1ccc(C[NH2+]C2(CNC(=O)[C@@H]3C[C@]3(C)C(C)C)CC2)cc1C ZINC001733257312 1429408604 /nfs/dbraw/zinc/40/86/04/1429408604.db2.gz KJBMDNYJVTUZEE-FXAWDEMLSA-N 1 0 344.499 3.424 10 10 EGCERO COc1ccc(C[NH2+]C[C@H](C)NC(=O)C2(C(F)F)CCC2)cc1C ZINC001716449894 1420666238 /nfs/dbraw/zinc/66/62/38/1420666238.db2.gz DTWNQJYFBAZXRW-ZDUSSCGKSA-N 1 0 340.414 3.033 10 10 EGCERO COc1ccc(C[NH2+]C2(CNC(=O)CCC(C)(F)F)CC2)cc1C ZINC001716685507 1420838952 /nfs/dbraw/zinc/83/89/52/1420838952.db2.gz DGGNYTKJQZPFAC-UHFFFAOYSA-N 1 0 340.414 3.177 10 10 EGCERO COc1ccc(C[NH2+][C@H](C)[C@H](C)NC(=O)C(C2CC2)C2CC2)cc1C ZINC001717432227 1421360450 /nfs/dbraw/zinc/36/04/50/1421360450.db2.gz DMMMTKCFDIPHKL-CABCVRRESA-N 1 0 344.499 3.423 10 10 EGCERO CCC[C@H](C)C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001717638133 1421544994 /nfs/dbraw/zinc/54/49/94/1421544994.db2.gz WHUUQBSBFMHXED-WBAXXEDZSA-N 1 0 332.488 3.424 10 10 EGCERO COc1ccc(C[NH2+]C[C@H](NC(=O)C2CC(C)C2)C2CC2)cc1C ZINC001723287678 1424334259 /nfs/dbraw/zinc/33/42/59/1424334259.db2.gz KISWDRXIKAIQGE-SYGMWZTRSA-N 1 0 330.472 3.034 10 10 EGCERO COc1ccc(C[NH2+]C[C@H](C2CC2)N(C)C(=O)[C@@H]2CC23CC3)cc1C ZINC001725466482 1426134200 /nfs/dbraw/zinc/13/42/00/1426134200.db2.gz HYHUZNIAZIAICM-ZWKOTPCHSA-N 1 0 342.483 3.130 10 10 EGCERO C/C=C(/C)C(=O)NC1CCC([NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC001731568442 1427608650 /nfs/dbraw/zinc/60/86/50/1427608650.db2.gz OAMRKZFSXVZBDU-RZNTYIFUSA-N 1 0 330.472 3.487 10 10 EGCERO COc1ccc(C[NH2+][C@H]2C[C@@H](C)N(C(=O)CCC(F)F)C2)cc1C ZINC001734421662 1438089865 /nfs/dbraw/zinc/08/98/65/1438089865.db2.gz UZJNYYZIRRKMCZ-HIFRSBDPSA-N 1 0 340.414 3.128 10 10 EGCERO CCCC[NH2+]C[C@@H](NC(=O)c1ccc(N=NC(N)=O)cc1)C(C)(C)C ZINC001734573931 1438167479 /nfs/dbraw/zinc/16/74/79/1438167479.db2.gz GHLZIVIZWOBCAD-OAHLLOKOSA-N 1 0 347.463 3.383 10 10 EGCERO Oc1cc2c(cc1C[NH+]1CCN(Cc3ccccc3F)CC1)CCC2 ZINC000022789318 212325152 /nfs/dbraw/zinc/32/51/52/212325152.db2.gz DGOCTIHLWLTNGG-UHFFFAOYSA-N 1 0 340.442 3.338 10 10 EGCERO COc1ccc(C[NH2+]Cc2ccc(F)cc2)cc1Cn1ccnc1 ZINC000009740740 211120761 /nfs/dbraw/zinc/12/07/61/211120761.db2.gz DFFKSSKZMLWTPS-UHFFFAOYSA-N 1 0 325.387 3.369 10 10 EGCERO COc1cc(Cl)cc(C[NH2+]C[C@]2(C)COc3ccccc3O2)c1O ZINC000529637067 313375542 /nfs/dbraw/zinc/37/55/42/313375542.db2.gz NGUKPDVTCWRVOY-GOSISDBHSA-N 1 0 349.814 3.374 10 10 EGCERO O=C(c1ccccc1)N1CCC([NH2+]Cc2ccc3c(c2)CCO3)CC1 ZINC000054173084 453914597 /nfs/dbraw/zinc/91/45/97/453914597.db2.gz WSFUTZIOCZGBKJ-UHFFFAOYSA-N 1 0 336.435 3.016 10 10 EGCERO CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(N3CCCCC3)cc2)[C@@H](C)C1 ZINC000084714886 454006191 /nfs/dbraw/zinc/00/61/91/454006191.db2.gz PLEWMJQRXFZMCP-OXJNMPFZSA-N 1 0 329.488 3.023 10 10 EGCERO COc1ccc(C[NH2+]Cc2ccc(N(C)C)c(F)c2)c(OC)c1OC ZINC000058191477 454169738 /nfs/dbraw/zinc/16/97/38/454169738.db2.gz KQEMEECIXMKFNT-UHFFFAOYSA-N 1 0 348.418 3.207 10 10 EGCERO C[N@H+](CCCC(=O)OC(C)(C)C)Cc1ccc(N2CCOCC2)cc1 ZINC000131053897 454233060 /nfs/dbraw/zinc/23/30/60/454233060.db2.gz OZBFEMATMGILJO-UHFFFAOYSA-N 1 0 348.487 3.077 10 10 EGCERO CC(C)Oc1ncccc1NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000095983568 454250658 /nfs/dbraw/zinc/25/06/58/454250658.db2.gz KDSMWYKPSDWYGU-UHFFFAOYSA-N 1 0 340.471 3.233 10 10 EGCERO CCCOc1ccc(C[N@@H+]2CCC[C@H](Cc3nccn3C)C2)c(O)c1 ZINC000184728560 455437448 /nfs/dbraw/zinc/43/74/48/455437448.db2.gz LPUBVVQPFNWHDW-MRXNPFEDSA-N 1 0 343.471 3.369 10 10 EGCERO Cc1occc1C(=O)NC1CC[NH+](Cc2cc(Cl)ccc2O)CC1 ZINC000093010154 454670532 /nfs/dbraw/zinc/67/05/32/454670532.db2.gz HNWRADCWMOFFLA-UHFFFAOYSA-N 1 0 348.830 3.341 10 10 EGCERO C[C@H]([NH2+]CCc1ccccc1O)c1ccc(N2CCOCC2)c(F)c1 ZINC000155009622 454953712 /nfs/dbraw/zinc/95/37/12/454953712.db2.gz CLESKWHEAMPJEY-HNNXBMFYSA-N 1 0 344.430 3.261 10 10 EGCERO COc1ccc(O)c(C[N@@H+]2CC[C@@H](CNc3cccc(C)n3)C2)c1 ZINC000179989206 455112394 /nfs/dbraw/zinc/11/23/94/455112394.db2.gz HIPWOBZKRVIDQV-HNNXBMFYSA-N 1 0 327.428 3.038 10 10 EGCERO C[C@@H]([NH2+][C@@H](Cc1ccccc1)C(=O)N(C)C)c1cc(Cl)ccc1O ZINC000185407506 455556037 /nfs/dbraw/zinc/55/60/37/455556037.db2.gz QASFRFHUNGDPRK-DYVFJYSZSA-N 1 0 346.858 3.396 10 10 EGCERO Cc1ccc(O)c(C[NH2+]C[C@H]2CN(Cc3ccccc3)CCCO2)c1 ZINC000192356076 455595333 /nfs/dbraw/zinc/59/53/33/455595333.db2.gz IIZXRXCYOSNIMG-FQEVSTJZSA-N 1 0 340.467 3.081 10 10 EGCERO COc1ccc(O)c([C@H](C)[NH2+][C@H]2CCN(c3ncccc3Cl)C2)c1 ZINC000185718539 455604802 /nfs/dbraw/zinc/60/48/02/455604802.db2.gz CLQVMGMRXQLNRW-STQMWFEESA-N 1 0 347.846 3.379 10 10 EGCERO Cc1cc(C[NH2+][C@H](C)c2ccc(-n3cncn3)cc2)ccc1N(C)C ZINC000271419851 455630056 /nfs/dbraw/zinc/63/00/56/455630056.db2.gz AAQSCILYJHGXCI-MRXNPFEDSA-N 1 0 335.455 3.493 10 10 EGCERO C[C@H]([NH2+][C@H](CO)C[C@H](O)C(C)(C)C)c1ccc2ccccc2c1O ZINC000284494031 455695495 /nfs/dbraw/zinc/69/54/95/455695495.db2.gz VKLURMYUMQEFDH-YEWWUXTCSA-N 1 0 331.456 3.354 10 10 EGCERO Cc1ccccc1[C@@H](O)C[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000268851423 455715308 /nfs/dbraw/zinc/71/53/08/455715308.db2.gz CIJIWBFHPMMMNJ-UTKZUKDTSA-N 1 0 340.467 3.216 10 10 EGCERO Cc1cc(N2CCC[C@@H]([NH2+][C@@H](C)c3cc(Cl)ccc3O)C2)n(C)n1 ZINC000278480678 455837791 /nfs/dbraw/zinc/83/77/91/455837791.db2.gz OSPWJZXILRKXMK-DZGCQCFKSA-N 1 0 348.878 3.407 10 10 EGCERO CC[C@H]([NH2+][C@H](Cc1ccccc1)C(=O)N(C)C)c1ccc(C)cc1O ZINC000279966097 455878824 /nfs/dbraw/zinc/87/88/24/455878824.db2.gz CPNJTBCKZISDKL-RBUKOAKNSA-N 1 0 340.467 3.441 10 10 EGCERO O=C(c1ccccc1)N1CCC([NH2+][C@H]2CCc3cccc(O)c32)CC1 ZINC000296214860 455882289 /nfs/dbraw/zinc/88/22/89/455882289.db2.gz ZPRPQPSESBBEIH-SFHVURJKSA-N 1 0 336.435 3.274 10 10 EGCERO COc1cc(C[N@H+](C)Cc2cc(OC)c(OC)cc2O)cc(OC)c1 ZINC000271071046 456117866 /nfs/dbraw/zinc/11/78/66/456117866.db2.gz FELUJXAGJMRNMK-UHFFFAOYSA-N 1 0 347.411 3.059 10 10 EGCERO COc1ccc(C[NH2+][C@@H]2CCN(Cc3ccc(F)cc3)C2=O)cc1C ZINC000276724486 456561696 /nfs/dbraw/zinc/56/16/96/456561696.db2.gz TXLGHLJNAIXZAL-GOSISDBHSA-N 1 0 342.414 3.033 10 10 EGCERO Cc1ccc(O)c(C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2C)c1 ZINC000277252089 456745748 /nfs/dbraw/zinc/74/57/48/456745748.db2.gz AGPYVFLRHKEWMD-ZBFHGGJFSA-N 1 0 334.460 3.436 10 10 EGCERO CC[C@H]([NH2+]C[C@@H]1CCC2(CCOCC2)[C@@H]1O)c1ccc(C)cc1O ZINC000283515708 456795193 /nfs/dbraw/zinc/79/51/93/456795193.db2.gz ZXPRANCVDSPETN-VDZJLULYSA-N 1 0 333.472 3.309 10 10 EGCERO COc1ccc(O)c([C@H](C)[NH2+][C@H]2CC[C@@H](C(=O)N3CCCCC3)C2)c1 ZINC000373868203 457376977 /nfs/dbraw/zinc/37/69/77/457376977.db2.gz RNQHOXXILMEJBE-XHSDSOJGSA-N 1 0 346.471 3.233 10 10 EGCERO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2C[C@H](C)[C@H]2C)C1 ZINC000357528063 457580344 /nfs/dbraw/zinc/58/03/44/457580344.db2.gz AEZLDNWVHRJLRS-JKSUJKDBSA-N 1 0 339.483 3.275 10 10 EGCERO CCOc1cccc(C[N@@H+]2CC[C@H](OCc3c(C)noc3C)C2)c1O ZINC000370730503 457708860 /nfs/dbraw/zinc/70/88/60/457708860.db2.gz OOXQXEPISXOWDH-INIZCTEOSA-N 1 0 346.427 3.187 10 10 EGCERO COc1cccc(C[N@@H+]2CCCN(c3ccc(F)c(F)c3)CC2)c1O ZINC000367039833 457924534 /nfs/dbraw/zinc/92/45/34/457924534.db2.gz AUIQEJCPIDONKA-UHFFFAOYSA-N 1 0 348.393 3.391 10 10 EGCERO Cc1cc(Cl)cc(CN2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)c1O ZINC000367753760 457978650 /nfs/dbraw/zinc/97/86/50/457978650.db2.gz LCPJBGUFXJPFSQ-GVDBMIGSSA-N 1 0 338.879 3.038 10 10 EGCERO O=C([C@H]1CC12CC[NH+](Cc1cc(F)ccc1O)CC2)N1CCCCC1 ZINC000371559140 457988729 /nfs/dbraw/zinc/98/87/29/457988729.db2.gz FOIYEJPJVIPSBK-QGZVFWFLSA-N 1 0 346.446 3.146 10 10 EGCERO CCN(CC)c1ccc(C[N@@H+]2CCCC[C@H]2[C@@H]2CNC(=O)C2)cc1F ZINC000362337775 458112830 /nfs/dbraw/zinc/11/28/30/458112830.db2.gz XTPJXMKWHSJHPO-WMZOPIPTSA-N 1 0 347.478 3.163 10 10 EGCERO C[C@@H](N[C@H]1CC[NH2+]C12CCC2)c1ccc(Br)cc1O ZINC000530213607 458718338 /nfs/dbraw/zinc/71/83/38/458718338.db2.gz ATNIGUDISBYYFT-YGRLFVJLSA-N 1 0 325.250 3.090 10 10 EGCERO C[C@H](N[C@@H]1CC[NH2+]C12CCC2)c1cc(Br)c(F)cc1[O-] ZINC000530215549 458720379 /nfs/dbraw/zinc/72/03/79/458720379.db2.gz HLXOSLXESGQWIF-LKFCYVNXSA-N 1 0 343.240 3.229 10 10 EGCERO C[C@@H]1C[C@@H]([NH2+]C[C@@H]2c3ccccc3C(=O)N2C)c2c1c(F)ccc2O ZINC000528008124 459794238 /nfs/dbraw/zinc/79/42/38/459794238.db2.gz WPTMLIFLUBHERX-HFBAOOFYSA-N 1 0 340.398 3.496 10 10 EGCERO C[C@@H]1C[C@H]([NH2+]C[C@@H]2c3ccccc3C(=O)N2C)c2c1c(F)ccc2O ZINC000528008132 459795114 /nfs/dbraw/zinc/79/51/14/459795114.db2.gz WPTMLIFLUBHERX-XFBWCDHKSA-N 1 0 340.398 3.496 10 10 EGCERO Cc1cc(O)c(C[NH+]2CCC(C)(N3CCOCC3)CC2)c(Cl)c1 ZINC000529666337 459833324 /nfs/dbraw/zinc/83/33/24/459833324.db2.gz WWVHJLSRZGPVMO-UHFFFAOYSA-N 1 0 338.879 3.041 10 10 EGCERO COCCN1CC[C@@H]([NH2+]Cc2cc(C)n(-c3cccc(C)c3)c2C)C1 ZINC000730817067 575023880 /nfs/dbraw/zinc/02/38/80/575023880.db2.gz FUMQUWCJVOAFQL-HXUWFJFHSA-N 1 0 341.499 3.213 10 10 EGCERO CCC[N@H+](C)CC(=O)NCCc1cc(C)n(-c2ccccc2)c1C ZINC000741212405 576666770 /nfs/dbraw/zinc/66/67/70/576666770.db2.gz OMLYTXGYPJDVQJ-UHFFFAOYSA-N 1 0 327.472 3.095 10 10 EGCERO CCOc1ccc(O)c(C[N@@H+]2CCO[C@]3(CCc4ccccc43)C2)c1 ZINC000093638387 1292927299 /nfs/dbraw/zinc/92/72/99/1292927299.db2.gz HSXRQMCSNMADBT-OAQYLSRUSA-N 1 0 339.435 3.465 10 10 EGCERO COc1ccc(C[N@@H+]2CCCN(Cc3ccccc3)CC2)c(O)c1 ZINC000127315881 1293559881 /nfs/dbraw/zinc/55/98/81/1293559881.db2.gz XXTDCZZDTGMWOP-UHFFFAOYSA-N 1 0 326.440 3.109 10 10 EGCERO C[C@@H]([NH2+]C[C@@H]1CC(C)(C)CO1)c1ccc(N2CCOCC2)c(F)c1 ZINC000872108197 1296733865 /nfs/dbraw/zinc/73/38/65/1296733865.db2.gz XKGFDMHZMGRFNZ-ZBFHGGJFSA-N 1 0 336.451 3.128 10 10 EGCERO COc1ccc(N2CCC([NH2+]C[C@@H]3C[C@H]4CCC[C@@H]4O3)CC2)cc1 ZINC000872108977 1296735416 /nfs/dbraw/zinc/73/54/16/1296735416.db2.gz FTJWGPYMEKAWMC-XPGWFJOJSA-N 1 0 330.472 3.211 10 10 EGCERO COc1cccc([C@@H](C)[NH2+]CCOC(F)(F)C(F)(F)F)c1O ZINC000872110674 1296738212 /nfs/dbraw/zinc/73/82/12/1296738212.db2.gz MDQXCEWSJGBVNT-MRVPVSSYSA-N 1 0 329.265 3.223 10 10 EGCERO [NH3+]CCC1CC[NH+](Cc2cc(Cl)cc(Br)c2[O-])CC1 ZINC000708098434 1298235191 /nfs/dbraw/zinc/23/51/91/1298235191.db2.gz IBSVOBVETBENQN-UHFFFAOYSA-N 1 0 347.684 3.369 10 10 EGCERO CC1(C)COC[C@@H]1[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000894216479 1306284256 /nfs/dbraw/zinc/28/42/56/1306284256.db2.gz PCXIKRQTJUADMM-INIZCTEOSA-N 1 0 340.414 3.271 10 10 EGCERO COC(=O)c1c(C[NH2+][C@@H]2CS[C@@H](C)C2)c2cc(F)ccc2n1C ZINC000894993414 1309147926 /nfs/dbraw/zinc/14/79/26/1309147926.db2.gz RUUBLWBJYUBHOV-JQWIXIFHSA-N 1 0 336.432 3.088 10 10 EGCERO CC[C@H]1C[C@@H]([NH2+]Cc2c3cc(F)ccc3n(C)c2C(=O)OC)CCO1 ZINC000895033455 1309164495 /nfs/dbraw/zinc/16/44/95/1309164495.db2.gz ALDLUWLZYSRIJV-KBPBESRZSA-N 1 0 348.418 3.151 10 10 EGCERO COc1cc(C)cc(C[N@@H+]2CC[C@H](O)C[C@H]2c2ccccc2)c1O ZINC000895422818 1309331125 /nfs/dbraw/zinc/33/11/25/1309331125.db2.gz PCGYPCFBAVSQIU-ROUUACIJSA-N 1 0 327.424 3.407 10 10 EGCERO COc1cc(Cl)cc(C[NH+]2CC(CC3CCOCC3)C2)c1O ZINC000895616782 1309430934 /nfs/dbraw/zinc/43/09/34/1309430934.db2.gz XZBCTLGUXPGYAN-UHFFFAOYSA-N 1 0 325.836 3.303 10 10 EGCERO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC000896746790 1309996420 /nfs/dbraw/zinc/99/64/20/1309996420.db2.gz XCSQCXZHTGJDKF-LBPRGKRZSA-N 1 0 348.468 3.116 10 10 EGCERO CCOc1ccc(O)c(C[N@@H+]2CC[C@H](Oc3ccc(C)cn3)C2)c1 ZINC000858011198 1328656542 /nfs/dbraw/zinc/65/65/42/1328656542.db2.gz KZTNMZVICZJHIB-KRWDZBQOSA-N 1 0 328.412 3.148 10 10 EGCERO CN(C)c1ccc(/C=C\C[NH2+]C[C@H]2c3ccccc3C(=O)N2C)cc1 ZINC000858283296 1328728089 /nfs/dbraw/zinc/72/80/89/1328728089.db2.gz GITGEWUQBAXEGW-HCZHMGAMSA-N 1 0 335.451 3.182 10 10 EGCERO C[C@H](NC(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1)c1ccc(N(C)C)cc1 ZINC000858369736 1328747430 /nfs/dbraw/zinc/74/74/30/1328747430.db2.gz WVKNKKQFFLGOSS-KXBFYZLASA-N 1 0 344.503 3.130 10 10 EGCERO CCOC(=O)[C@@H]1C[C@H]1C[N@H+](Cc1ccco1)Cc1ccccc1O ZINC000929969806 1328752484 /nfs/dbraw/zinc/75/24/84/1328752484.db2.gz DHNWXWIHYVGQHD-DOTOQJQBSA-N 1 0 329.396 3.187 10 10 EGCERO C[C@H]1C[C@@H]([NH2+]Cc2ccc3oc(=O)n(C)c3c2)c2c1c(F)ccc2O ZINC000858539738 1328791185 /nfs/dbraw/zinc/79/11/85/1328791185.db2.gz KSCCKHITNRWXBI-GXFFZTMASA-N 1 0 342.370 3.314 10 10 EGCERO C[C@@H]([NH2+]CCSc1ccncc1)c1ccc(N2CCOCC2)cc1 ZINC000930209871 1328812773 /nfs/dbraw/zinc/81/27/73/1328812773.db2.gz JUTZVGBJPLBNRS-MRXNPFEDSA-N 1 0 343.496 3.361 10 10 EGCERO C[C@H]([NH2+]CCSc1ccncc1)c1ccc(N2CCOCC2)cc1 ZINC000930209870 1328812812 /nfs/dbraw/zinc/81/28/12/1328812812.db2.gz JUTZVGBJPLBNRS-INIZCTEOSA-N 1 0 343.496 3.361 10 10 EGCERO Cc1cc(C(=O)N[C@H]2CCC[N@@H+](C)C2)c(C)n1-c1cccc(C)c1 ZINC000918708027 1321980329 /nfs/dbraw/zinc/98/03/29/1321980329.db2.gz HNTWESSOHXYLTJ-KRWDZBQOSA-N 1 0 325.456 3.227 10 10 EGCERO CC1CCN(c2ccc(C[NH2+]Cc3c4c(nn3C)CCC4)cc2)CC1 ZINC000921718007 1322384140 /nfs/dbraw/zinc/38/41/40/1322384140.db2.gz SMOKXVPNRJMGDY-UHFFFAOYSA-N 1 0 338.499 3.435 10 10 EGCERO CN(C)c1ccc(/C=C/C[NH2+]C[C@@H]2CC[C@@H](C(F)(F)F)O2)cc1 ZINC000922454563 1322530956 /nfs/dbraw/zinc/53/09/56/1322530956.db2.gz MENRXXXEANMOCU-PIGHNIFASA-N 1 0 328.378 3.465 10 10 EGCERO CCc1noc([C@H]2CC[C@H]([NH2+]Cc3ccc(N(C)C)c(F)c3)C2)n1 ZINC000922865872 1322634916 /nfs/dbraw/zinc/63/49/16/1322634916.db2.gz LEANDWCSGPXYGU-KBPBESRZSA-N 1 0 332.423 3.263 10 10 EGCERO Oc1cccc(Br)c1C[NH2+][C@H]1c2ccccc2CC[C@H]1O ZINC000922989756 1322670578 /nfs/dbraw/zinc/67/05/78/1322670578.db2.gz ZIHBXTQXJUSLDA-SJORKVTESA-N 1 0 348.240 3.293 10 10 EGCERO COCCN(CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(OC)c(OC)c1 ZINC000923313277 1322731205 /nfs/dbraw/zinc/73/12/05/1322731205.db2.gz CYPSISBVBVHGJC-ALOPSCKCSA-N 1 0 348.487 3.077 10 10 EGCERO CC[C@H](C[C@@](C)(O)CC)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000924718609 1323130303 /nfs/dbraw/zinc/13/03/03/1323130303.db2.gz ZQDQXBLUTMFIAA-APWZRJJASA-N 1 0 338.467 3.082 10 10 EGCERO C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1cnn(C2CCC2)c1 ZINC000924750773 1323145691 /nfs/dbraw/zinc/14/56/91/1323145691.db2.gz PQJPAKLRUTXVEA-MRXNPFEDSA-N 1 0 340.471 3.296 10 10 EGCERO Cc1cc(Cl)cc([C@H](C)N[C@H]2C[NH2+]CC3(CCOCC3)C2)c1O ZINC000925793222 1325303787 /nfs/dbraw/zinc/30/37/87/1325303787.db2.gz RHYIJKCSFWMMRM-DZGCQCFKSA-N 1 0 338.879 3.163 10 10 EGCERO COc1ccc(N2CC[C@H](C[NH2+][C@@H](C3CC3)[C@@H]3CCCOC3)C2)cc1 ZINC000926609995 1327633972 /nfs/dbraw/zinc/63/39/72/1327633972.db2.gz BTAPMOZUNDEBCQ-BLIXFSHQSA-N 1 0 344.499 3.316 10 10 EGCERO COc1ccc(N2CC[C@H]([NH2+][C@@H](C)c3cn4c(n3)CCCC4)C2)cc1 ZINC000926680598 1327664601 /nfs/dbraw/zinc/66/46/01/1327664601.db2.gz PTXYQZDFGIITPF-HOTGVXAUSA-N 1 0 340.471 3.158 10 10 EGCERO COc1ccc(N2CC[C@H](C[NH2+]Cc3ccnc(F)c3C)C2)cc1 ZINC000862397936 1329482706 /nfs/dbraw/zinc/48/27/06/1329482706.db2.gz RAQDRHHYQFKQKU-OAHLLOKOSA-N 1 0 329.419 3.154 10 10 EGCERO COc1c(O)c(C[NH2+][C@H](c2ccccn2)C2CCC2)ccc1[N+](=O)[O-] ZINC000862478284 1329489596 /nfs/dbraw/zinc/48/95/96/1329489596.db2.gz URMIFHIPYQSLTC-INIZCTEOSA-N 1 0 343.383 3.335 10 10 EGCERO CCOC(=O)C1=CC[C@H]([NH2+]Cc2ccc(N3CCCCC3)cc2)C1 ZINC000862487653 1329491033 /nfs/dbraw/zinc/49/10/33/1329491033.db2.gz SOSOZOYTRYFWLC-SFHVURJKSA-N 1 0 328.456 3.418 10 10 EGCERO CC[C@H](N[C@@H]1CC[C@@H](C)[NH2+]C1)c1cc(Br)ccc1O ZINC000863547607 1329562346 /nfs/dbraw/zinc/56/23/46/1329562346.db2.gz QSARJPNHKHMSIM-QKCSRTOESA-N 1 0 327.266 3.336 10 10 EGCERO C[C@H]([NH2+]CCOCC(=O)OC(C)(C)C)c1cc(Cl)ccc1O ZINC000866437248 1330112366 /nfs/dbraw/zinc/11/23/66/1330112366.db2.gz CSCPMKSGAMPWJM-NSHDSACASA-N 1 0 329.824 3.055 10 10 EGCERO CC[C@@H]([NH2+]C[C@@H]1CC2(CO1)CCOCC2)c1ccc(N(C)C)cc1 ZINC000866530900 1330122664 /nfs/dbraw/zinc/12/26/64/1330122664.db2.gz BTYWGRPBIRSFLD-RBUKOAKNSA-N 1 0 332.488 3.379 10 10 EGCERO COc1ccc(O)c([C@@H](C)[NH2+]CCc2cn(C)c3ncccc23)c1 ZINC000866574202 1330128747 /nfs/dbraw/zinc/12/87/47/1330128747.db2.gz SKPJNBCAERSDGQ-CYBMUJFWSA-N 1 0 325.412 3.181 10 10 EGCERO COc1ccc(C[NH2+]C[C@@]2(C)CCN(C(=O)[C@@H](C)C3CC3)C2)cc1C ZINC001324705219 1387744310 /nfs/dbraw/zinc/74/43/10/1387744310.db2.gz DSWWVLHAQWICEZ-HRAATJIYSA-N 1 0 344.499 3.378 10 10 EGCERO CCC[C@H](C)[C@@H]1CCC[N@@H+]1CC(=O)NCc1ccc(N(C)C)cc1 ZINC001192172823 1367707134 /nfs/dbraw/zinc/70/71/34/1367707134.db2.gz DVOZIMOTBMUSLM-LPHOPBHVSA-N 1 0 331.504 3.269 10 10 EGCERO CCC[C@@H](C)[C@H]1CCC[N@@H+]1CC(=O)NCc1ccc(N(C)C)cc1 ZINC001192172825 1367707230 /nfs/dbraw/zinc/70/72/30/1367707230.db2.gz DVOZIMOTBMUSLM-VQIMIIECSA-N 1 0 331.504 3.269 10 10 EGCERO C[C@@H]([NH2+][C@@H]1CCCN(c2cccc(F)c2)C1=O)c1ccccc1O ZINC001197003889 1368729822 /nfs/dbraw/zinc/72/98/22/1368729822.db2.gz LVOOUHFAFXUXPO-CXAGYDPISA-N 1 0 328.387 3.378 10 10 EGCERO c1nc2cc(C[NH2+]Cc3ccc(N4CCOCC4)cc3)ccc2s1 ZINC001199732683 1369264190 /nfs/dbraw/zinc/26/41/90/1369264190.db2.gz QNHKZOZSARPQSK-UHFFFAOYSA-N 1 0 339.464 3.423 10 10 EGCERO CC[C@H]([NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1)[C@H]1CCCCO1 ZINC001118390571 1371172199 /nfs/dbraw/zinc/17/21/99/1371172199.db2.gz VWQLPNDZUOQGKW-AZUAARDMSA-N 1 0 349.494 3.015 10 10 EGCERO OC[C@]1(C[NH2+]Cc2ccc(N3CCCC3)cc2)CCc2ccccc21 ZINC001326517833 1388226420 /nfs/dbraw/zinc/22/64/20/1388226420.db2.gz CBOMYVVVQSMIBT-JOCHJYFZSA-N 1 0 336.479 3.253 10 10 EGCERO CN(C)c1ccc([C@H](CNC(=O)C2CCC3(CC3)CC2)[NH+](C)C)cc1 ZINC001134882212 1376765556 /nfs/dbraw/zinc/76/55/56/1376765556.db2.gz MKBLRZUCIQOGDE-IBGZPJMESA-N 1 0 343.515 3.442 10 10 EGCERO CC[C@@H]1CCC[C@@H]1C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001134881621 1376765622 /nfs/dbraw/zinc/76/56/22/1376765622.db2.gz BGOPKDBTGCGSRF-AYOQOUSVSA-N 1 0 331.504 3.298 10 10 EGCERO CCN(Cc1ccc(N(C)C)cc1)C(=O)C1C[NH+](C2CCCCC2)C1 ZINC001142410658 1378440713 /nfs/dbraw/zinc/44/07/13/1378440713.db2.gz OYHHWELQPREHCX-UHFFFAOYSA-N 1 0 343.515 3.366 10 10 EGCERO COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)Cc2ccsc2)cc1C ZINC001283566019 1379023231 /nfs/dbraw/zinc/02/32/31/1379023231.db2.gz DKHSMXABWWRKJN-HNNXBMFYSA-N 1 0 346.496 3.244 10 10 EGCERO Cc1cc(CNC(=O)CC[N@@H+]2CC[C@@H](F)C2)c(C)n1-c1ccccc1 ZINC001151153956 1379668868 /nfs/dbraw/zinc/66/88/68/1379668868.db2.gz PSHCQKJTIYOOHN-GOSISDBHSA-N 1 0 343.446 3.144 10 10 EGCERO CCCC[C@@H](CC)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001288329582 1381780185 /nfs/dbraw/zinc/78/01/85/1381780185.db2.gz CLXRUJRKZIWPTR-GOSISDBHSA-N 1 0 331.504 3.271 10 10 EGCERO C[C@H](CC1CCCC1)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001288334826 1381782291 /nfs/dbraw/zinc/78/22/91/1381782291.db2.gz RGYRFOGGGTUQOG-QGZVFWFLSA-N 1 0 343.515 3.271 10 10 EGCERO CCCN(CC(F)(F)F)C(=O)C[N@H+](CCC)Cc1ccccc1O ZINC001328757039 1388846217 /nfs/dbraw/zinc/84/62/17/1388846217.db2.gz VEXXIEGIKTTZNA-UHFFFAOYSA-N 1 0 346.393 3.405 10 10 EGCERO CC(=O)c1cc(F)cc(C[NH2+][C@@H](C(C)C)C2(CO)CCCC2)c1O ZINC001307823189 1384037579 /nfs/dbraw/zinc/03/75/79/1384037579.db2.gz JTMITXCCYQLSDN-SFHVURJKSA-N 1 0 337.435 3.401 10 10 EGCERO CN1CCN(c2ccc(C[NH2+]C3CCC4(CC4)CC3)cc2F)CC1 ZINC001321162331 1386827132 /nfs/dbraw/zinc/82/71/32/1386827132.db2.gz QTAWCMJXFVLQTJ-UHFFFAOYSA-N 1 0 331.479 3.390 10 10 EGCERO CC/C(C)=C\C(=O)N1CC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)[C@H]1C ZINC001331888546 1389899481 /nfs/dbraw/zinc/89/94/81/1389899481.db2.gz WCYVBKDGJGRJBB-ODKVYAFPSA-N 1 0 330.472 3.439 10 10 EGCERO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]C[C@H]1CC2(CO1)CCOCC2 ZINC001331918027 1389909776 /nfs/dbraw/zinc/90/97/76/1389909776.db2.gz YCUCRIDAJUKYOQ-BZUAXINKSA-N 1 0 331.456 3.424 10 10 EGCERO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]CCN1C[C@@H]2CCCCN2C1=O ZINC001333327619 1390284725 /nfs/dbraw/zinc/28/47/25/1390284725.db2.gz NYWBJRDCYMJBAL-OWCLPIDISA-N 1 0 343.471 3.129 10 10 EGCERO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)/C=C(/C)C3CC3)C2)cc1C ZINC001480129455 1392596994 /nfs/dbraw/zinc/59/69/94/1392596994.db2.gz NFJLPGTUPWPFDZ-PFVPCZTQSA-N 1 0 328.456 3.097 10 10 EGCERO COc1ccc(C[NH2+][C@H](C)CCNC(=O)C[C@H]2C=CCC2)cc1C ZINC001480747403 1392911673 /nfs/dbraw/zinc/91/16/73/1392911673.db2.gz OFJSJTZRYSALQL-SJORKVTESA-N 1 0 330.472 3.344 10 10 EGCERO COc1ccc(C[NH2+]C2(CNC(=O)[C@@H]3C[C@@H]3C)CCCC2)cc1C ZINC001482208842 1394802465 /nfs/dbraw/zinc/80/24/65/1394802465.db2.gz QLTYTRJJQSSZNY-WMLDXEAASA-N 1 0 330.472 3.178 10 10 EGCERO C[C@@H](C[NH2+]CCC(C)(C)C)N(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001482371194 1394933287 /nfs/dbraw/zinc/93/32/87/1394933287.db2.gz LQHXPYYPZYQMSY-ZDUSSCGKSA-N 1 0 347.463 3.335 10 10 EGCERO COc1ccc(C[NH2+]C[C@@H](CC(C)C)NC(=O)[C@@H]2CC23CC3)cc1C ZINC001482391625 1394952314 /nfs/dbraw/zinc/95/23/14/1394952314.db2.gz BOSYJCXDWDGYDZ-MSOLQXFVSA-N 1 0 344.499 3.424 10 10 EGCERO C[N@H+](CCNC(=O)c1ccc(N=NC(N)=O)cc1)CC1CCCCC1 ZINC001492888585 1396328204 /nfs/dbraw/zinc/32/82/04/1396328204.db2.gz XAONFOVUQCTEAJ-UHFFFAOYSA-N 1 0 345.447 3.091 10 10 EGCERO COc1ccc(C[NH2+]C/C=C\CNC(=O)c2ccc(C)cc2)cc1C ZINC001497744797 1396819363 /nfs/dbraw/zinc/81/93/63/1396819363.db2.gz YUFHZIXGGGCACJ-PLNGDYQASA-N 1 0 338.451 3.388 10 10 EGCERO COc1ccc(C[NH2+]C[C@H](C)NC(=O)Cc2ccsc2C)cc1C ZINC001498132545 1396924215 /nfs/dbraw/zinc/92/42/15/1396924215.db2.gz PHNXPUUHHFEXDX-AWEZNQCLSA-N 1 0 346.496 3.211 10 10 EGCERO COc1ccc(C[NH2+][C@H](C)CNC(=O)C[C@@H](C)C(F)(F)F)cc1C ZINC001690618011 1404655773 /nfs/dbraw/zinc/65/57/73/1404655773.db2.gz QJRHEFHHDREEEA-CHWSQXEVSA-N 1 0 346.393 3.186 10 10 EGCERO COc1ccc(C[NH2+]CCC[C@@H](C)NC(=O)c2nccs2)cc1C ZINC001725408077 1426052011 /nfs/dbraw/zinc/05/20/11/1426052011.db2.gz QWOMZWUKNJTMDT-CQSZACIVSA-N 1 0 347.484 3.148 10 10 EGCERO COc1ccc(C[NH2+]C[C@H](C)CNC(=O)[C@H](C)C(F)(F)F)cc1C ZINC001732356766 1428546504 /nfs/dbraw/zinc/54/65/04/1428546504.db2.gz ZKQPTGJMJIQLFZ-AAEUAGOBSA-N 1 0 346.393 3.044 10 10 EGCERO COc1ccc(C[NH2+]C[C@H](C)NC(=O)C[C@H](C)C(F)(F)F)cc1C ZINC001699418906 1412732737 /nfs/dbraw/zinc/73/27/37/1412732737.db2.gz MSDCZYQSPSGLIX-STQMWFEESA-N 1 0 346.393 3.186 10 10 EGCERO CC/C=C\CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001699642282 1413022065 /nfs/dbraw/zinc/02/20/65/1413022065.db2.gz MXCFVAYQNWKCMY-FETBWYICSA-N 1 0 343.431 3.009 10 10 EGCERO CC/C=C\CC[NH2+]C1(CNC(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC001699675174 1413068288 /nfs/dbraw/zinc/06/82/88/1413068288.db2.gz BEPIHRNTSSABOE-VCYPFOMVSA-N 1 0 343.431 3.057 10 10 EGCERO COc1ccc(C[NH2+]CC[C@@H](C)NC(=O)c2scnc2C)cc1C ZINC001732674875 1428902914 /nfs/dbraw/zinc/90/29/14/1428902914.db2.gz CEJCQKCTAQGVPI-CYBMUJFWSA-N 1 0 347.484 3.067 10 10 EGCERO CCN(CC[NH2+]Cc1ccc(OC)c(C)c1)C(=O)c1ccc(F)cc1 ZINC001732760225 1428953635 /nfs/dbraw/zinc/95/36/35/1428953635.db2.gz RKSDYTDMOOJLKK-UHFFFAOYSA-N 1 0 344.430 3.395 10 10 EGCERO COc1ccc(C[NH2+]C/C=C/CNC(=O)c2c(C)coc2C)cc1C ZINC001732850013 1429008842 /nfs/dbraw/zinc/00/88/42/1429008842.db2.gz YSPUSKMMDDLTRX-AATRIKPKSA-N 1 0 342.439 3.289 10 10 EGCERO COc1ccc(C[NH2+][C@@H](C)CNC(=O)c2ccc(Cl)o2)cc1C ZINC001713296801 1417924131 /nfs/dbraw/zinc/92/41/31/1417924131.db2.gz OJQBLVDQWMMYDV-LBPRGKRZSA-N 1 0 336.819 3.158 10 10 EGCERO COc1ccc(C[NH2+]CCN(C)C(=O)CCc2ccsc2)cc1C ZINC001713600493 1418389473 /nfs/dbraw/zinc/38/94/73/1418389473.db2.gz RVKSYNNHPXWXMK-UHFFFAOYSA-N 1 0 346.496 3.246 10 10 EGCERO COc1ccc(C[NH2+]CCN(C)C(=O)c2c(C)oc(C)c2C)cc1C ZINC001713612239 1418393799 /nfs/dbraw/zinc/39/37/99/1418393799.db2.gz BUVQWANYGDSGHE-UHFFFAOYSA-N 1 0 344.455 3.384 10 10 EGCERO COc1ccc(C[NH2+]C2(CNC(=O)CC3CC3)CCCC2)cc1C ZINC001715294225 1420001701 /nfs/dbraw/zinc/00/17/01/1420001701.db2.gz LBIGENFOWFTBIG-UHFFFAOYSA-N 1 0 330.472 3.322 10 10 EGCERO CCc1ccccc1C(=O)N[C@@H](C)C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001715991770 1420447070 /nfs/dbraw/zinc/44/70/70/1420447070.db2.gz CAZTYPXSPVSBRS-INIZCTEOSA-N 1 0 340.467 3.474 10 10 EGCERO COc1ccc(C[NH2+]C[C@H](C)NC(=O)[C@@H](C)C2CCCC2)cc1C ZINC001716459239 1420672808 /nfs/dbraw/zinc/67/28/08/1420672808.db2.gz AYPQUQRLAZMUID-HOTGVXAUSA-N 1 0 332.488 3.424 10 10 EGCERO COc1ccc(C[NH2+]C2(CNC(=O)[C@H]3[C@@H]4CCCC[C@@H]43)CC2)cc1C ZINC001716678746 1420833925 /nfs/dbraw/zinc/83/39/25/1420833925.db2.gz POTHDCDZZWGJIE-DZFIZOCASA-N 1 0 342.483 3.178 10 10 EGCERO COc1ccc(C[NH2+]C2(CNC(=O)[C@@H](C)C(C)(C)C)CC2)cc1C ZINC001716685792 1420839655 /nfs/dbraw/zinc/83/96/55/1420839655.db2.gz NAODUZLUNIMZEY-OAHLLOKOSA-N 1 0 332.488 3.424 10 10 EGCERO CCC1([NH2+]Cc2ccc(OC)c(C)c2)CCN(C(=O)C(F)F)CC1 ZINC001717234941 1421203249 /nfs/dbraw/zinc/20/32/49/1421203249.db2.gz TWPVBWNIVYQETF-UHFFFAOYSA-N 1 0 340.414 3.130 10 10 EGCERO CC(C)CCC[NH+]1CC(N(C)C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001723826072 1424577807 /nfs/dbraw/zinc/57/78/07/1424577807.db2.gz LDIGKRDTFNTZFI-UHFFFAOYSA-N 1 0 345.447 3.041 10 10 EGCERO CCCC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001733538030 1429744232 /nfs/dbraw/zinc/74/42/32/1429744232.db2.gz JABBNXCSJNMHNH-DZGCQCFKSA-N 1 0 345.447 3.089 10 10 EGCERO COc1ccc(C[NH2+]C[C@H]2C[C@H](NC(=O)C3(CF)CCC3)C2)cc1C ZINC001734215055 1437945913 /nfs/dbraw/zinc/94/59/13/1437945913.db2.gz HGCISWZXMCJTRL-QAQDUYKDSA-N 1 0 348.462 3.128 10 10 EGCERO C[C@H](CN(C)C(=O)c1ccc(N=NC(N)=O)cc1)[NH2+]CCC(C)(C)C ZINC001734356478 1438073751 /nfs/dbraw/zinc/07/37/51/1438073751.db2.gz KIKAPIHAEOTYQQ-CYBMUJFWSA-N 1 0 347.463 3.335 10 10 EGCERO CN(CCO)c1ccc(C[NH2+][C@H]2CCSc3ccccc32)cc1 ZINC000012542034 453369810 /nfs/dbraw/zinc/36/98/10/453369810.db2.gz KHXQPHFVQACZNX-SFHVURJKSA-N 1 0 328.481 3.442 10 10 EGCERO OC1CCN(c2ccc(C[NH2+]Cc3ccccc3F)cc2F)CC1 ZINC000071825301 454226363 /nfs/dbraw/zinc/22/63/63/454226363.db2.gz RANJOOJOXBMMEM-UHFFFAOYSA-N 1 0 332.394 3.216 10 10 EGCERO CCCN(Cc1ccccc1O)C(=O)NCCC1CC[NH+](CC)CC1 ZINC000080461825 454584954 /nfs/dbraw/zinc/58/49/54/454584954.db2.gz XOIJTHIMVQMLMG-UHFFFAOYSA-N 1 0 347.503 3.436 10 10 EGCERO CCOc1ccc(O)c(C[N@@H+]2CC[C@H](CNc3ccccn3)C2)c1 ZINC000092812855 454637391 /nfs/dbraw/zinc/63/73/91/454637391.db2.gz IQFOZTORZPUPIG-OAHLLOKOSA-N 1 0 327.428 3.120 10 10 EGCERO CCOc1cccc(C[NH+]2CCC(C(=O)N3CCCCC3)CC2)c1O ZINC000162644552 454790422 /nfs/dbraw/zinc/79/04/22/454790422.db2.gz IWNGCPKMAMRTKV-UHFFFAOYSA-N 1 0 346.471 3.015 10 10 EGCERO COc1ccc(O)c([C@@H](C)[NH2+][C@H](Cc2ccccc2)CN(C)C)c1 ZINC000185091649 455500138 /nfs/dbraw/zinc/50/01/38/455500138.db2.gz KULYXGMYJHOHQE-NVXWUHKLSA-N 1 0 328.456 3.224 10 10 EGCERO Oc1ccc2ccccc2c1C[N@@H+]1CCCN(c2cccnn2)CC1 ZINC000156318963 455104054 /nfs/dbraw/zinc/10/40/54/455104054.db2.gz LMHCATWKPJOBLT-UHFFFAOYSA-N 1 0 334.423 3.048 10 10 EGCERO Cc1nc(CN2CCC[N@@H+](Cc3ccc(N(C)C)cc3)CC2)cs1 ZINC000157227098 455174336 /nfs/dbraw/zinc/17/43/36/455174336.db2.gz WAIOWOCAYIGWLS-UHFFFAOYSA-N 1 0 344.528 3.225 10 10 EGCERO C[C@H]([NH2+][C@@H]1CCc2ncnn2C1)c1ccc(N2CCCCCC2)cc1 ZINC000180602566 455206217 /nfs/dbraw/zinc/20/62/17/455206217.db2.gz WLBSBZBIVXTUDI-FUHWJXTLSA-N 1 0 339.487 3.324 10 10 EGCERO CC(C)N1C[C@H]([NH2+][C@@H](C)c2ccc(N3CCOCC3)c(F)c2)[C@@H](C)C1 ZINC000181284915 455312810 /nfs/dbraw/zinc/31/28/10/455312810.db2.gz HBVIXBOFOPPBQA-BXWFABGCSA-N 1 0 349.494 3.042 10 10 EGCERO CCC[N@H+](Cc1ccccc1O)CC1(O)CCC(C(=O)OCC)CC1 ZINC000190919959 455406111 /nfs/dbraw/zinc/40/61/11/455406111.db2.gz CQYLTQBOQHQGIW-UHFFFAOYSA-N 1 0 349.471 3.089 10 10 EGCERO Cc1cc(Cl)cc(CN2CCSC[C@@H]2c2cnn(C)c2)c1O ZINC000191734977 455515723 /nfs/dbraw/zinc/51/57/23/455515723.db2.gz MSZGEUNJNQAABE-OAHLLOKOSA-N 1 0 337.876 3.378 10 10 EGCERO C[C@@H]([NH2+][C@@H](C)c1ccc(S(C)(=O)=O)cc1)c1cc(F)ccc1O ZINC000185171120 455515659 /nfs/dbraw/zinc/51/56/59/455515659.db2.gz OVIVKIXVYSPTKA-NWDGAFQWSA-N 1 0 337.416 3.347 10 10 EGCERO C[C@H]([NH2+][C@H](Cc1ccccc1)C(=O)N(C)C)c1cc(Cl)ccc1O ZINC000185407528 455555789 /nfs/dbraw/zinc/55/57/89/455555789.db2.gz QASFRFHUNGDPRK-SUMWQHHRSA-N 1 0 346.858 3.396 10 10 EGCERO CO[C@@H]1CC[C@@H]2OCCN(Cc3cc(Cl)cc(Cl)c3[O-])[C@H]2C1 ZINC000247283643 455582640 /nfs/dbraw/zinc/58/26/40/455582640.db2.gz YRZGREUQBZNRML-SNPRPXQTSA-N 1 0 346.254 3.467 10 10 EGCERO CC(C)c1nc2n(n1)C[C@H]([NH2+][C@H](C)c1cc(Cl)ccc1O)CC2 ZINC000185996522 455670499 /nfs/dbraw/zinc/67/04/99/455670499.db2.gz HJGJXBFUEMSCGN-DGCLKSJQSA-N 1 0 334.851 3.426 10 10 EGCERO CCCN(Cc1cnnn1Cc1ccccc1)c1ccc(C[NH3+])cc1 ZINC000292783165 455756868 /nfs/dbraw/zinc/75/68/68/455756868.db2.gz LPLJEYUPNJZPCS-UHFFFAOYSA-N 1 0 335.455 3.202 10 10 EGCERO Cc1cc(Cl)cc(C[NH2+]CCOCC(F)(F)C(F)F)c1O ZINC000278121474 455762884 /nfs/dbraw/zinc/76/28/84/455762884.db2.gz AYYFHBUPSYXFPG-UHFFFAOYSA-N 1 0 329.721 3.361 10 10 EGCERO COc1c(O)c(C[N@@H+]2CC[C@@H](C(F)(F)F)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000294980156 455834120 /nfs/dbraw/zinc/83/41/20/455834120.db2.gz JSLPJXZKWNXJME-GXSJLCMTSA-N 1 0 348.321 3.472 10 10 EGCERO Cc1cc(N2CCC[C@@H]([NH2+][C@@H](C)c3ccc(C)c(C)c3O)C2)n(C)n1 ZINC000278544426 455840317 /nfs/dbraw/zinc/84/03/17/455840317.db2.gz VFATYWCUYDXHAI-DLBZAZTESA-N 1 0 342.487 3.371 10 10 EGCERO C[C@H]1C[C@@H](C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)CC[N@@H+]1C ZINC000279138326 455858641 /nfs/dbraw/zinc/85/86/41/455858641.db2.gz FTXUUGCVJJXZSQ-HKUYNNGSSA-N 1 0 343.515 3.366 10 10 EGCERO Cc1cc(Cl)cc(C[N@@H+]2C[C@H](C)O[C@@]3(CCO[C@@H]3C)C2)c1O ZINC000280596126 456008807 /nfs/dbraw/zinc/00/88/07/456008807.db2.gz XVMAOULKMBTOJM-AHIWAGSCSA-N 1 0 325.836 3.122 10 10 EGCERO CC[C@H]([NH2+][C@H]1CCN(Cc2ccc(F)cc2)C1=O)c1ccccc1O ZINC000189033901 456207025 /nfs/dbraw/zinc/20/70/25/456207025.db2.gz ZIFCFPZDRUOKEF-ROUUACIJSA-N 1 0 342.414 3.373 10 10 EGCERO COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCOC3(CCSCC3)C2)c1 ZINC000273493105 456234345 /nfs/dbraw/zinc/23/43/45/456234345.db2.gz OREVLFXUHVXSOL-ZIAGYGMSSA-N 1 0 337.485 3.496 10 10 EGCERO CC[C@H]([NH2+]C[C@H]1CCC2(CCOCC2)[C@@H]1O)c1ccc(N(C)C)cc1 ZINC000283493671 456791617 /nfs/dbraw/zinc/79/16/17/456791617.db2.gz YGNIPANECXPWAJ-YZGWKJHDSA-N 1 0 346.515 3.361 10 10 EGCERO Oc1ccc2ccccc2c1C[NH+]1CCC(c2nnc3n2CCC3)CC1 ZINC000363627599 457388466 /nfs/dbraw/zinc/38/84/66/457388466.db2.gz YXWRVWKFZZKUBM-UHFFFAOYSA-N 1 0 348.450 3.463 10 10 EGCERO O=C([C@@H]1CC12CC[NH+](Cc1cc(F)ccc1O)CC2)N1CCCCC1 ZINC000371559139 457988713 /nfs/dbraw/zinc/98/87/13/457988713.db2.gz FOIYEJPJVIPSBK-KRWDZBQOSA-N 1 0 346.446 3.146 10 10 EGCERO CCOC(=O)C[C@@H]1C[C@@H](OC)C[N@@H+]1Cc1c(O)ccc2ccccc21 ZINC000376949359 458426979 /nfs/dbraw/zinc/42/69/79/458426979.db2.gz OCPIEXUJAFXWKH-JKSUJKDBSA-N 1 0 343.423 3.088 10 10 EGCERO CC(=O)N1CCCN(Cc2cccc3c2CC[NH2+]C3)c2ccccc21 ZINC000662257838 461148512 /nfs/dbraw/zinc/14/85/12/461148512.db2.gz RQFDNJGKQWBAJM-UHFFFAOYSA-N 1 0 335.451 3.096 10 10 EGCERO Cc1ccc(C)n1-c1ccc(C(=O)N(C)[C@@H]2C[NH+]3CCC2CC3)cc1 ZINC000732159078 575240969 /nfs/dbraw/zinc/24/09/69/575240969.db2.gz DWSHIFCSDKUEDT-HXUWFJFHSA-N 1 0 337.467 3.260 10 10 EGCERO COc1ccc(N2CC[C@@H]([NH2+][C@@H](C)c3cc(O)ccc3F)C2)cc1 ZINC000872085067 1296725937 /nfs/dbraw/zinc/72/59/37/1296725937.db2.gz NCRQJYLBHXTSDG-UONOGXRCSA-N 1 0 330.403 3.469 10 10 EGCERO C[C@H]([NH2+]C[C@@H]1C[C@H]2CCC[C@H]2O1)c1ccc(N2CCOCC2)c(F)c1 ZINC000872109961 1296736986 /nfs/dbraw/zinc/73/69/86/1296736986.db2.gz UVBDKAGEWYHEGO-DZIWXPPMSA-N 1 0 348.462 3.271 10 10 EGCERO C[C@H]([NH2+]CC1C[C@H]2CC[C@@H](C1)S2(=O)=O)c1cc(Cl)ccc1O ZINC000872118763 1296744007 /nfs/dbraw/zinc/74/40/07/1296744007.db2.gz HXLJRQHDOIJEHS-CRMUJIHISA-N 1 0 343.876 3.052 10 10 EGCERO CC(=O)c1cccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccccc2O)c1 ZINC000879651469 1300651290 /nfs/dbraw/zinc/65/12/90/1300651290.db2.gz XBNIOMUVHAFYAK-STQMWFEESA-N 1 0 326.396 3.273 10 10 EGCERO CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@H](c3nc(C)cs3)C2)c1O ZINC000880007439 1300846126 /nfs/dbraw/zinc/84/61/26/1300846126.db2.gz HOPVZFFAGPQBKE-LBPRGKRZSA-N 1 0 334.416 3.488 10 10 EGCERO CN(C)c1ccc(C[NH2+]CC[C@H]2CCC3(CCOCC3)CO2)cc1 ZINC000886301948 1303427785 /nfs/dbraw/zinc/42/77/85/1303427785.db2.gz BETGVGCVTYRCRS-LJQANCHMSA-N 1 0 332.488 3.208 10 10 EGCERO C[C@@H]1OC[C@]2(CC[C@H](C[NH2+]C/C=C\c3ccc(N(C)C)cc3)O2)[C@H]1C ZINC000886336340 1303439447 /nfs/dbraw/zinc/43/94/47/1303439447.db2.gz PXWZCXDFGFGXSY-YRDQUVJESA-N 1 0 344.499 3.328 10 10 EGCERO COC(=O)c1c(C[NH2+]C2C[C@H](C)O[C@@H](C)C2)c2cc(F)ccc2n1C ZINC000894368747 1306362865 /nfs/dbraw/zinc/36/28/65/1306362865.db2.gz TVIUYTCZAWDFOD-RYUDHWBXSA-N 1 0 348.418 3.150 10 10 EGCERO COC(=O)c1c(C[NH2+]C[C@H](C)CC(F)F)c2cc(F)ccc2n1C ZINC000895076408 1309182257 /nfs/dbraw/zinc/18/22/57/1309182257.db2.gz OWTOAWFMRLHMGE-SNVBAGLBSA-N 1 0 342.361 3.485 10 10 EGCERO COc1cc(C)cc(C[N@@H+]2Cc3cnn(C)c3CC(C)(C)C2)c1O ZINC000895365293 1309302669 /nfs/dbraw/zinc/30/26/69/1309302669.db2.gz ZRABITGVNIRAAC-UHFFFAOYSA-N 1 0 329.444 3.027 10 10 EGCERO COc1cc(C)cc(C[N@@H+]2CC[C@H](O)C[C@@H]2c2ccccc2)c1O ZINC000895422819 1309330782 /nfs/dbraw/zinc/33/07/82/1309330782.db2.gz PCGYPCFBAVSQIU-ZWKOTPCHSA-N 1 0 327.424 3.407 10 10 EGCERO COc1cc(C)cc(C[N@@H+]2CC[C@@H](O)C[C@@H]2c2ccccc2)c1O ZINC000895422817 1309330846 /nfs/dbraw/zinc/33/08/46/1309330846.db2.gz PCGYPCFBAVSQIU-QZTJIDSGSA-N 1 0 327.424 3.407 10 10 EGCERO OC1CCN(c2ccc(C[N@@H+]3CC[C@H](c4nccs4)C3)cc2)CC1 ZINC000895580629 1309413196 /nfs/dbraw/zinc/41/31/96/1309413196.db2.gz CMSXJSDVDSEIJU-INIZCTEOSA-N 1 0 343.496 3.094 10 10 EGCERO c1cc(N2CCCCC2)ccc1C[NH+]1CCC2(CC1)COCCO2 ZINC000895694517 1309471380 /nfs/dbraw/zinc/47/13/80/1309471380.db2.gz HRDNODLJGKCGOH-UHFFFAOYSA-N 1 0 330.472 3.058 10 10 EGCERO C[C@@H]1C[C@]2(CC[C@@H](C[NH2+]Cc3ccc4ccccc4c3O)O2)CO1 ZINC000895818070 1309533602 /nfs/dbraw/zinc/53/36/02/1309533602.db2.gz BLJZGUVDDIXFOE-CFLQYTFWSA-N 1 0 327.424 3.362 10 10 EGCERO COc1ccc(N2CC[NH+](CCSc3ccncc3)CC2)cc1 ZINC000929153138 1328525776 /nfs/dbraw/zinc/52/57/76/1328525776.db2.gz QNYDSIHADUIEBQ-UHFFFAOYSA-N 1 0 329.469 3.005 10 10 EGCERO Oc1ccc(F)cc1C[N@@H+]1CC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858017288 1328660354 /nfs/dbraw/zinc/66/03/54/1328660354.db2.gz XBISNLDXDYYXGD-QGZVFWFLSA-N 1 0 328.387 3.457 10 10 EGCERO CN(C)c1cc(F)c(C[NH2+][C@@H]2CCO[C@@H](c3cccnc3)C2)cc1F ZINC000858171981 1328702826 /nfs/dbraw/zinc/70/28/26/1328702826.db2.gz GGTWMXFTTYUTSZ-DNVCBOLYSA-N 1 0 347.409 3.436 10 10 EGCERO CN(C)c1ccc(/C=C\C[NH2+]C[C@@H](n2cccn2)C(F)(F)F)cc1 ZINC000858208550 1328711598 /nfs/dbraw/zinc/71/15/98/1328711598.db2.gz IBWGKGRLJKSUHK-OICCZTGUSA-N 1 0 338.377 3.356 10 10 EGCERO CN(C)c1ccc(/C=C\C[NH2+]C[C@H](n2cccn2)C(F)(F)F)cc1 ZINC000858208548 1328712067 /nfs/dbraw/zinc/71/20/67/1328712067.db2.gz IBWGKGRLJKSUHK-IMMZDGJCSA-N 1 0 338.377 3.356 10 10 EGCERO CN(C)c1ccc(C[NH2+][C@@H]2CO[C@H](C3CC3)C2)c(C(F)(F)F)c1 ZINC000858299113 1328732969 /nfs/dbraw/zinc/73/29/69/1328732969.db2.gz PKODVNZHXAQFAI-BBRMVZONSA-N 1 0 328.378 3.429 10 10 EGCERO Cc1cc(C)c([C@H](C)[NH2+]Cc2ccc3oc(=O)n(C)c3c2)c(O)c1 ZINC000858540059 1328791706 /nfs/dbraw/zinc/79/17/06/1328791706.db2.gz UMKHKMVEIVREFJ-ZDUSSCGKSA-N 1 0 326.396 3.305 10 10 EGCERO C[C@H]([NH2+][C@@H]1CO[C@H](C2CC2)C1)c1ccc(Br)cc1O ZINC000858548633 1328792811 /nfs/dbraw/zinc/79/28/11/1328792811.db2.gz WITPVPAPXZXRCC-FMSQNYNMSA-N 1 0 326.234 3.373 10 10 EGCERO C[C@@H]([NH2+][C@H](C)c1ccc(F)nc1)c1ccc(N2CCOCC2)cc1 ZINC000930210571 1328812701 /nfs/dbraw/zinc/81/27/01/1328812701.db2.gz OHKFPNFDDXTVPZ-HUUCEWRRSA-N 1 0 329.419 3.469 10 10 EGCERO CN(C)c1cc(F)c(C[NH2+]C[C@@H]2CC[C@H](C(F)(F)F)O2)cc1F ZINC000922454091 1322531305 /nfs/dbraw/zinc/53/13/05/1322531305.db2.gz BCGPHEFTMVWVFN-IINYFYTJSA-N 1 0 338.320 3.230 10 10 EGCERO CCOCc1cc(C[NH2+]C[C@@H]2CC[C@H](C(F)(F)F)O2)ccc1OC ZINC000922463987 1322534177 /nfs/dbraw/zinc/53/41/77/1322534177.db2.gz UPLRGAPYVBRCGG-GOEBONIOSA-N 1 0 347.377 3.431 10 10 EGCERO COc1ccc(C[NH2+]C2([C@H]3CCCCO3)CC2)cc1Cn1cccn1 ZINC000923028510 1322678402 /nfs/dbraw/zinc/67/84/02/1322678402.db2.gz QGJKAUUMLVUSRO-LJQANCHMSA-N 1 0 341.455 3.131 10 10 EGCERO CC(C)[C@H]1COCC[C@H]1[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000924759014 1323148304 /nfs/dbraw/zinc/14/83/04/1323148304.db2.gz DTDOUIVXQGIUSO-NHCUHLMSSA-N 1 0 346.515 3.046 10 10 EGCERO CC(C)(C)OC(=O)NCC1CC([NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000924899083 1323205064 /nfs/dbraw/zinc/20/50/64/1323205064.db2.gz AUERAOWLNRRABT-UHFFFAOYSA-N 1 0 332.444 3.014 10 10 EGCERO C[C@@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)c1cccc(C(F)(F)F)c1[O-] ZINC000925775283 1325295261 /nfs/dbraw/zinc/29/52/61/1325295261.db2.gz FKODTZAIMSVBDU-NXEZZACHSA-N 1 0 338.320 3.306 10 10 EGCERO NC(=O)C1CCN(c2ccc(C[NH2+][C@@H]3CC4CCC3CC4)cc2)CC1 ZINC000926875194 1327751148 /nfs/dbraw/zinc/75/11/48/1327751148.db2.gz ASPWHRGVEOYRAR-MKJPBZQASA-N 1 0 341.499 3.057 10 10 EGCERO Oc1cccc(Br)c1C[N@@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000862252985 1329471974 /nfs/dbraw/zinc/47/19/74/1329471974.db2.gz YZKLRMJVCKOWIA-RISCZKNCSA-N 1 0 326.234 3.156 10 10 EGCERO CCC1(N2CCOCC2)CC[NH+](Cc2c(O)cccc2Cl)CC1 ZINC000862535304 1329493564 /nfs/dbraw/zinc/49/35/64/1329493564.db2.gz INEWVDAZJOUASK-UHFFFAOYSA-N 1 0 338.879 3.122 10 10 EGCERO COC(=O)[C@H]1C[N@H+](Cc2cc3c(cc2O)CCC3)Cc2ccccc21 ZINC000863333448 1329547475 /nfs/dbraw/zinc/54/74/75/1329547475.db2.gz PIIAYEOYKVMEIK-IBGZPJMESA-N 1 0 337.419 3.153 10 10 EGCERO COc1ccc(N2CC[C@H]([NH2+]Cc3cnc(Cl)c(F)c3)C2)cc1 ZINC000865622385 1329721696 /nfs/dbraw/zinc/72/16/96/1329721696.db2.gz UIISZJAPBJOBRH-ZDUSSCGKSA-N 1 0 335.810 3.251 10 10 EGCERO Fc1cc(C[NH2+][C@H](C2CCC2)[C@@H]2CCCO2)ccc1N1CCOCC1 ZINC000865737216 1329734160 /nfs/dbraw/zinc/73/41/60/1329734160.db2.gz RYLPPRLWLLGAJH-VQTJNVASSA-N 1 0 348.462 3.100 10 10 EGCERO COc1ccc(N2CCC([NH2+]C[C@H]3CCC34CCOCC4)CC2)cc1 ZINC000865776970 1329737227 /nfs/dbraw/zinc/73/72/27/1329737227.db2.gz AKSBATSINIYUCL-QGZVFWFLSA-N 1 0 344.499 3.460 10 10 EGCERO C[C@H](NC(=O)NCc1cccc(C[NH+](C)C)c1)c1ccccc1O ZINC000868040846 1330243187 /nfs/dbraw/zinc/24/31/87/1330243187.db2.gz KPPSHRPIIIKITF-AWEZNQCLSA-N 1 0 327.428 3.014 10 10 EGCERO COc1ccc(C[NH2+]C[C@H](NC(=O)[C@]23C[C@H]2CCC3)C2CC2)cc1C ZINC001323036310 1387272515 /nfs/dbraw/zinc/27/25/15/1387272515.db2.gz SRPQOJUQAIVXMZ-LVCYWYKZSA-N 1 0 342.483 3.178 10 10 EGCERO O[C@@H]1C[N@H+](Cc2ccc3c(c2)CCN3Cc2ccccc2)CC12CC2 ZINC001323732440 1387434689 /nfs/dbraw/zinc/43/46/89/1387434689.db2.gz VYRMNRWRRVNXOD-OAQYLSRUSA-N 1 0 334.463 3.206 10 10 EGCERO CC[C@@H](C)C(=O)N1CC[C@@](C)(C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001324692685 1387739765 /nfs/dbraw/zinc/73/97/65/1387739765.db2.gz GBXDYMNCJLCDNF-QRWLVFNGSA-N 1 0 332.488 3.378 10 10 EGCERO CC(C)C[N@H+](CC(=O)NCc1ccc(N(C)C)cc1)C1CCCC1 ZINC001190570276 1367296144 /nfs/dbraw/zinc/29/61/44/1367296144.db2.gz BQYKIUQBAACHKY-UHFFFAOYSA-N 1 0 331.504 3.269 10 10 EGCERO CC(=O)c1cc(F)cc(CN2CC[NH+](CC3CCCCC3)CC2)c1O ZINC001190627266 1367311640 /nfs/dbraw/zinc/31/16/40/1367311640.db2.gz GRHABMGMIMZWDO-UHFFFAOYSA-N 1 0 348.462 3.432 10 10 EGCERO CC(C)NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001118629442 1371208183 /nfs/dbraw/zinc/20/81/83/1371208183.db2.gz FIHIBNQBPDJPAW-GOSISDBHSA-N 1 0 329.488 3.023 10 10 EGCERO CN(C)c1ccc([C@@H](CNC(=O)C2CCC3(CC3)CC2)[NH+](C)C)cc1 ZINC001134882213 1376765237 /nfs/dbraw/zinc/76/52/37/1376765237.db2.gz MKBLRZUCIQOGDE-LJQANCHMSA-N 1 0 343.515 3.442 10 10 EGCERO CCN(CC)c1ccc(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)cc1F ZINC001136730155 1377418416 /nfs/dbraw/zinc/41/84/16/1377418416.db2.gz FEBAVLNMVHAUDC-APWZRJJASA-N 1 0 347.478 3.305 10 10 EGCERO COc1ccc(C[NH2+]C/C=C\CNC(=O)[C@@H]2C[C@H]2C(C)C)cc1C ZINC001274470278 1378126127 /nfs/dbraw/zinc/12/61/27/1378126127.db2.gz ACTILYYLCNGIOG-FDICQLOXSA-N 1 0 330.472 3.058 10 10 EGCERO Cc1cc(C(=O)NC[C@H](C)[NH+](C)C)c(C)n1-c1cc(C)cc(C)c1 ZINC001143037998 1378531731 /nfs/dbraw/zinc/53/17/31/1378531731.db2.gz AZUMNKPMCVVQIJ-INIZCTEOSA-N 1 0 327.472 3.391 10 10 EGCERO CC[N@H+](Cc1ccc(C(=O)NCc2c(O)cccc2O)cc1)C(C)C ZINC001156880814 1380716627 /nfs/dbraw/zinc/71/66/27/1380716627.db2.gz CANSQGDDEXALQJ-UHFFFAOYSA-N 1 0 342.439 3.258 10 10 EGCERO C[C@H](CNc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1)[NH+](C)C ZINC001306946795 1383924295 /nfs/dbraw/zinc/92/42/95/1383924295.db2.gz CDBKETRFZLGXAT-CYBMUJFWSA-N 1 0 327.384 3.188 10 10 EGCERO COc1ccc(N(C)CC[N@H+](C)Cc2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC001307897263 1384052713 /nfs/dbraw/zinc/05/27/13/1384052713.db2.gz LWPUYFYYCYUABH-UHFFFAOYSA-N 1 0 343.427 3.480 10 10 EGCERO CC[C@H](C)C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001316645985 1384504545 /nfs/dbraw/zinc/50/45/45/1384504545.db2.gz KMFOKJKEZOHHRM-JCGIZDLHSA-N 1 0 332.488 3.424 10 10 EGCERO COc1ccc(C[NH2+][C@@H](C)CNC(=O)C2C(C)(C)C2(C)C)cc1C ZINC001317230420 1385008994 /nfs/dbraw/zinc/00/89/94/1385008994.db2.gz AHHVBZWOYBNPRM-AWEZNQCLSA-N 1 0 332.488 3.280 10 10 EGCERO COc1ccc(C[NH2+][C@@H](C)CNC(=O)C2(C)CC(F)(F)C2)cc1C ZINC001317275984 1385045197 /nfs/dbraw/zinc/04/51/97/1385045197.db2.gz MUCMEMORMPMBGU-ZDUSSCGKSA-N 1 0 340.414 3.033 10 10 EGCERO COc1ccc(C[NH2+][C@H](C)CCNC(=O)/C=C(/C)C2CC2)cc1C ZINC001317391237 1385110559 /nfs/dbraw/zinc/11/05/59/1385110559.db2.gz XSHACIJZURGTAV-OBEJXRGXSA-N 1 0 330.472 3.344 10 10 EGCERO COc1ccc(C[NH2+][C@H](C)CCNC(=O)[C@]2(C)C=CCC2)cc1C ZINC001317403315 1385117299 /nfs/dbraw/zinc/11/72/99/1385117299.db2.gz WGJREHXNSALUCO-OXQOHEQNSA-N 1 0 330.472 3.344 10 10 EGCERO CC[C@@H](F)C(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC001318965157 1385900501 /nfs/dbraw/zinc/90/05/01/1385900501.db2.gz CUIVTNFLEIKHHY-BRWVUGGUSA-N 1 0 336.451 3.269 10 10 EGCERO COc1ccc(C[NH2+]C2(CNC(=O)C3CCC3)CCCC2)cc1C ZINC001319330838 1386063273 /nfs/dbraw/zinc/06/32/73/1386063273.db2.gz GHYNMDIEKLPULW-UHFFFAOYSA-N 1 0 330.472 3.322 10 10 EGCERO COc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)c2cnc(C)s2)cc1C ZINC001319431283 1386119445 /nfs/dbraw/zinc/11/94/45/1386119445.db2.gz SIYIKBSPFDUBRG-CYBMUJFWSA-N 1 0 347.484 3.019 10 10 EGCERO COc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]2[C@@H]3CCCC[C@@H]32)cc1C ZINC001319438678 1386122046 /nfs/dbraw/zinc/12/20/46/1386122046.db2.gz FVXKOQHWBILERX-LBKNJMOBSA-N 1 0 344.499 3.376 10 10 EGCERO COc1ccc(C[NH2+]C[C@H](C)NC(=O)[C@]2(C)CC=CCC2)cc1C ZINC001321855285 1386997439 /nfs/dbraw/zinc/99/74/39/1386997439.db2.gz HYAUOXFVDGQRSB-OXJNMPFZSA-N 1 0 330.472 3.344 10 10 EGCERO COc1ccc(C[NH2+]CCCN(C)C(=O)[C@H]2C[C@H]2C(C)C)cc1C ZINC001322767336 1387235588 /nfs/dbraw/zinc/23/55/88/1387235588.db2.gz KCQIRSMJIJMEFI-ROUUACIJSA-N 1 0 332.488 3.234 10 10 EGCERO Oc1cccc(Br)c1C[NH2+]CCc1cnc(C2CC2)nc1 ZINC001329965335 1389274535 /nfs/dbraw/zinc/27/45/35/1389274535.db2.gz HMYHCDNSQKJCBU-UHFFFAOYSA-N 1 0 348.244 3.154 10 10 EGCERO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@H](C)C(F)F)C1 ZINC001353581847 1392043577 /nfs/dbraw/zinc/04/35/77/1392043577.db2.gz PUVMXHLTLIUVNY-CYBMUJFWSA-N 1 0 349.425 3.178 10 10 EGCERO CCc1ccc(C(=O)N(C)CC[NH2+]Cc2ccc(OC)c(C)c2)cc1 ZINC001481311072 1393161971 /nfs/dbraw/zinc/16/19/71/1393161971.db2.gz WIYBQSITQICDBM-UHFFFAOYSA-N 1 0 340.467 3.428 10 10 EGCERO COc1ccc(C[NH2+][C@@H](CNC(=O)[C@H]2[C@@H]3CCC[C@@H]32)C(C)C)cc1C ZINC001482520468 1395069568 /nfs/dbraw/zinc/06/95/68/1395069568.db2.gz LJHIONPAOHBBAX-HLNWXESRSA-N 1 0 344.499 3.280 10 10 EGCERO CCC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001496492474 1396710169 /nfs/dbraw/zinc/71/01/69/1396710169.db2.gz UOMUBNHVHZJKFM-CJNGLKHVSA-N 1 0 345.447 3.089 10 10 EGCERO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)CC(C)=C(C)C)C2)cc1C ZINC001690285449 1404447009 /nfs/dbraw/zinc/44/70/09/1404447009.db2.gz XUDFWLBRNHNPBC-IYARVYRRSA-N 1 0 330.472 3.487 10 10 EGCERO CCn1ccc(C(=O)NC[C@@H](C)[NH2+]Cc2ccc(OC)c(C)c2)c1C ZINC001690614892 1404653545 /nfs/dbraw/zinc/65/35/45/1404653545.db2.gz RNCXDZMWLXNCBI-OAHLLOKOSA-N 1 0 343.471 3.042 10 10 EGCERO CCCC1(C(=O)N2CC[C@H]([NH2+]Cc3ccc(OC)c(C)c3)C2)CC1 ZINC001690676644 1404689029 /nfs/dbraw/zinc/68/90/29/1404689029.db2.gz XTMIPJLETOEDSW-KRWDZBQOSA-N 1 0 330.472 3.274 10 10 EGCERO COc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)C2CC3(CC3)C2)cc1C ZINC001732436976 1428580143 /nfs/dbraw/zinc/58/01/43/1428580143.db2.gz KZZWVASJMAYSKS-OAHLLOKOSA-N 1 0 330.472 3.130 10 10 EGCERO CC(C)=CC[N@@H+](C)CCCN(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001700195590 1413635725 /nfs/dbraw/zinc/63/57/25/1413635725.db2.gz SURWKSIPOXJIDH-UHFFFAOYSA-N 1 0 345.447 3.209 10 10 EGCERO COc1ccc(C[NH2+][C@@H](C)CNC(=O)c2cccc(F)c2C)cc1C ZINC001713312151 1417936464 /nfs/dbraw/zinc/93/64/64/1417936464.db2.gz GMYAUTDDHHNVQA-AWEZNQCLSA-N 1 0 344.430 3.359 10 10 EGCERO COc1ccc(C[NH2+]C[C@@H](C)CNC(=O)[C@@H]2C[C@H]2C2CCC2)cc1C ZINC001714437870 1419169102 /nfs/dbraw/zinc/16/91/02/1419169102.db2.gz VIMHJHQKPPRVEI-MDASCCDHSA-N 1 0 344.499 3.282 10 10 EGCERO COc1ccc(C[NH2+][C@H](C)CCNC(=O)[C@H](C)C(C)(F)F)cc1C ZINC001714490072 1419213557 /nfs/dbraw/zinc/21/35/57/1419213557.db2.gz XLROBMPHLAOERQ-KGLIPLIRSA-N 1 0 342.430 3.279 10 10 EGCERO COc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)Cc2ccccc2)cc1C ZINC001714667267 1419455652 /nfs/dbraw/zinc/45/56/52/1419455652.db2.gz BQCCJSRUTYFSGL-QGZVFWFLSA-N 1 0 340.467 3.183 10 10 EGCERO COc1ccc(C[NH2+]C2(CNC(=O)c3cscc3C)CC2)cc1C ZINC001733241968 1429385844 /nfs/dbraw/zinc/38/58/44/1429385844.db2.gz WQJCKBRUJXDXSF-UHFFFAOYSA-N 1 0 344.480 3.426 10 10 EGCERO COc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)C(C)(C)C(F)F)cc1C ZINC001715364236 1420061151 /nfs/dbraw/zinc/06/11/51/1420061151.db2.gz USOGAQAZLJCGPV-ZDUSSCGKSA-N 1 0 342.430 3.231 10 10 EGCERO COc1ccc(C[NH2+]C2(CNC(=O)CC3(C)CC3)CCC2)cc1C ZINC001724790725 1425157622 /nfs/dbraw/zinc/15/76/22/1425157622.db2.gz VPLCSNFUKLDJNX-UHFFFAOYSA-N 1 0 330.472 3.322 10 10 EGCERO COc1ccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)Cc2ccc(C)o2)cc1C ZINC001725095052 1425538415 /nfs/dbraw/zinc/53/84/15/1425538415.db2.gz RMGGPMGCNMFQRE-JKSUJKDBSA-N 1 0 344.455 3.131 10 10 EGCERO CC(C)[NH2+]CC1(NC(=O)c2ccc(N=NC(N)=O)cc2)CCCCC1 ZINC001725230062 1425802420 /nfs/dbraw/zinc/80/24/20/1425802420.db2.gz VHYXTCMZIKLSAN-UHFFFAOYSA-N 1 0 345.447 3.280 10 10 EGCERO CCC[C@@H]1C[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001725508437 1426193738 /nfs/dbraw/zinc/19/37/38/1426193738.db2.gz SOVVSOPJGAEBMD-KBAYOESNSA-N 1 0 332.488 3.376 10 10 EGCERO CCC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001731297273 1427240045 /nfs/dbraw/zinc/24/00/45/1427240045.db2.gz MGTVFJOJABOLBA-BBRMVZONSA-N 1 0 345.447 3.232 10 10 EGCERO COc1ccc(C[NH2+][C@@H](C)CNC(=O)c2cc(C)oc2C)cc1C ZINC001731578272 1427621365 /nfs/dbraw/zinc/62/13/65/1427621365.db2.gz FOBUSGQWPQFUOU-ZDUSSCGKSA-N 1 0 330.428 3.122 10 10 EGCERO CCC[N@H+](CCNC(=O)c1ccc(N=NC(N)=O)cc1)CC1CCC1 ZINC001731872318 1428131122 /nfs/dbraw/zinc/13/11/22/1428131122.db2.gz QZHHQCOVCDBXAC-UHFFFAOYSA-N 1 0 345.447 3.091 10 10 EGCERO COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)[C@H]2CCC2(C)C)cc1C ZINC001734339039 1438060113 /nfs/dbraw/zinc/06/01/13/1438060113.db2.gz JTDIZHRWJSMVQU-DOTOQJQBSA-N 1 0 332.488 3.376 10 10 EGCERO CCN(C)c1ccc(C[NH2+][C@](C)(CO)Cc2ccccc2OC)cc1 ZINC001644309220 1126247216 /nfs/dbraw/zinc/24/72/16/1126247216.db2.gz YLIQRDIAJVYPQD-NRFANRHFSA-N 1 0 342.483 3.235 10 10 EGCERO OCc1ccc(F)c(C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)c1 ZINC000528420492 313089317 /nfs/dbraw/zinc/08/93/17/313089317.db2.gz VKKBASBEDHPICR-SFHVURJKSA-N 1 0 345.414 3.205 10 10 EGCERO CC[C@@H]([NH2+][C@H]1CCCN(c2cccnn2)C1)c1ccc(N(C)C)cc1 ZINC000089732790 454186223 /nfs/dbraw/zinc/18/62/23/454186223.db2.gz XDQYHYRKIOBVQB-PKOBYXMFSA-N 1 0 339.487 3.252 10 10 EGCERO CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+](Cc2ccccc2O)C1 ZINC000180204791 455148011 /nfs/dbraw/zinc/14/80/11/455148011.db2.gz WJYWSPCANULSLH-AWEZNQCLSA-N 1 0 344.377 3.015 10 10 EGCERO CC(=O)c1cc(F)cc(CN2CCO[C@H](c3cccs3)C2)c1O ZINC000157544480 455206235 /nfs/dbraw/zinc/20/62/35/455206235.db2.gz KSEVJXONZZSASU-HNNXBMFYSA-N 1 0 335.400 3.369 10 10 EGCERO COc1cc(Cl)cc(C[N@@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)c1O ZINC000184696753 455430772 /nfs/dbraw/zinc/43/07/72/455430772.db2.gz IVDKAEBTTNANEG-DYVFJYSZSA-N 1 0 325.836 3.181 10 10 EGCERO Cc1ccc(O)c([C@@H](C)[NH2+]CCCN2C(=O)COc3ccccc32)c1 ZINC000186078552 455689409 /nfs/dbraw/zinc/68/94/09/455689409.db2.gz DJOLVEPHFYCBKF-OAHLLOKOSA-N 1 0 340.423 3.167 10 10 EGCERO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](Cc3ccccc3O)CC[C@@H]21 ZINC000292781252 455756961 /nfs/dbraw/zinc/75/69/61/455756961.db2.gz LLBCSRJJSHODDU-ZBFHGGJFSA-N 1 0 332.444 3.224 10 10 EGCERO Cc1nocc1C[NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000293684666 455794777 /nfs/dbraw/zinc/79/47/77/455794777.db2.gz VXLZUYNQUFVLFW-AWEZNQCLSA-N 1 0 337.370 3.343 10 10 EGCERO CCc1noc(C)c1C[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000293735102 455795672 /nfs/dbraw/zinc/79/56/72/455795672.db2.gz OSTJSNJCCLPQCG-ZDUSSCGKSA-N 1 0 347.434 3.372 10 10 EGCERO COc1cc(OC)c(C[NH2+][C@@H]2CCc3cccc(O)c32)c(OC)c1 ZINC000296126332 455869684 /nfs/dbraw/zinc/86/96/84/455869684.db2.gz VOGASMPIYDFPJT-OAHLLOKOSA-N 1 0 329.396 3.195 10 10 EGCERO COC(=O)c1ccc(C[N@H+](Cc2ccc(N(C)C)cc2)C2CC2)nc1 ZINC000285940520 455946208 /nfs/dbraw/zinc/94/62/08/455946208.db2.gz JMBCFGIVYURDAD-UHFFFAOYSA-N 1 0 339.439 3.099 10 10 EGCERO Cc1cc(Cl)cc(C[N@@H+]2C[C@]3(CCOC3)OC(C)(C)C2)c1O ZINC000280325322 455947283 /nfs/dbraw/zinc/94/72/83/455947283.db2.gz QPRDZKXRHPMALT-KRWDZBQOSA-N 1 0 325.836 3.124 10 10 EGCERO C[C@@H]([NH2+][C@@H]1CCC(=O)NC12CCC2)c1cc2c(cc1O)CCCC2 ZINC000282968491 456676731 /nfs/dbraw/zinc/67/67/31/456676731.db2.gz CZKIZTIYJIWURX-FZKQIMNGSA-N 1 0 328.456 3.123 10 10 EGCERO CC[C@H]([NH2+]C[C@@H]1[C@H]2COC[C@H]21)c1cc(Br)ccc1O ZINC000367701708 457974475 /nfs/dbraw/zinc/97/44/75/457974475.db2.gz BQHIBPXDQZSYFU-FQUUOJAGSA-N 1 0 326.234 3.088 10 10 EGCERO CCOc1cccc(C[NH+]2CCC(c3nccc(C)n3)CC2)c1O ZINC000371886977 458110045 /nfs/dbraw/zinc/11/00/45/458110045.db2.gz BMOIVTGSTUFBNU-UHFFFAOYSA-N 1 0 327.428 3.269 10 10 EGCERO CC(C)=CCNC(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2 ZINC000436015675 458236902 /nfs/dbraw/zinc/23/69/02/458236902.db2.gz IASNATCJUOWGBI-UHFFFAOYSA-N 1 0 339.483 3.490 10 10 EGCERO COc1ccc(CN2CC[C@@H]2C[NH2+]Cc2cc(C)ccc2O)cc1 ZINC000527775822 459732446 /nfs/dbraw/zinc/73/24/46/459732446.db2.gz VQKVDJFGJDYXDN-GOSISDBHSA-N 1 0 326.440 3.073 10 10 EGCERO COc1ccc(CN2CC[C@H]2C[NH2+][C@@H](C)c2cc(F)ccc2O)cc1 ZINC000527964377 459784307 /nfs/dbraw/zinc/78/43/07/459784307.db2.gz BVPMAIFGLGSBHX-YOEHRIQHSA-N 1 0 344.430 3.465 10 10 EGCERO CCC[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(Br)c1 ZINC000061693923 535186611 /nfs/dbraw/zinc/18/66/11/535186611.db2.gz BQDTTXJLURQAMF-LBPRGKRZSA-N 1 0 327.266 3.346 10 10 EGCERO COc1ccc(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2O)cc1 ZINC000378374328 547819376 /nfs/dbraw/zinc/81/93/76/547819376.db2.gz FOQOCZQUEBNPEM-QGZVFWFLSA-N 1 0 326.396 3.004 10 10 EGCERO COc1ccc2ccc(O)c(C[N@H+](C)[C@@H]3CCN(C4CC4)C3)c2c1 ZINC000732188752 575243104 /nfs/dbraw/zinc/24/31/04/575243104.db2.gz KVCWHVHVIJFVSK-MRXNPFEDSA-N 1 0 326.440 3.223 10 10 EGCERO C[N@@H+]1CCC[C@@H](CNC(=O)C2=CC(=O)CS2)[C@H]1c1cccs1 ZINC000743567314 576812333 /nfs/dbraw/zinc/81/23/33/576812333.db2.gz OUULBIOEZSYBRY-NHYWBVRUSA-N 1 0 336.482 3.328 10 10 EGCERO CC[N@H+](Cc1ccc(N(C)C)cc1)Cc1ccc(-n2cncn2)cc1 ZINC000156847484 1294161621 /nfs/dbraw/zinc/16/16/21/1294161621.db2.gz ZYDVAIOLOZKINZ-UHFFFAOYSA-N 1 0 335.455 3.355 10 10 EGCERO Nc1cccc2c1CC[N@H+](Cc1cc(Br)ccc1O)C2 ZINC000236366701 1296190015 /nfs/dbraw/zinc/19/00/15/1296190015.db2.gz NSTWSTONIVMFLV-UHFFFAOYSA-N 1 0 333.229 3.295 10 10 EGCERO COc1ccc(N2CC[C@H]([NH2+][C@H](C)c3cccc(O)c3F)C2)cc1 ZINC000872085856 1296725014 /nfs/dbraw/zinc/72/50/14/1296725014.db2.gz RIOQUXFICRILFH-KGLIPLIRSA-N 1 0 330.403 3.469 10 10 EGCERO COc1ccc(N2CCC([NH2+]C[C@@H]3C[C@@H]4CCC[C@@H]4O3)CC2)cc1 ZINC000872108978 1296735081 /nfs/dbraw/zinc/73/50/81/1296735081.db2.gz FTJWGPYMEKAWMC-YSSFQJQWSA-N 1 0 330.472 3.211 10 10 EGCERO COc1cccc([C@H](C)[NH2+]CCOC(F)(F)C(F)(F)F)c1O ZINC000872110675 1296737980 /nfs/dbraw/zinc/73/79/80/1296737980.db2.gz MDQXCEWSJGBVNT-QMMMGPOBSA-N 1 0 329.265 3.223 10 10 EGCERO Cc1ccc([C@H](C)[NH2+]CC2C[C@H]3CC[C@@H](C2)S3(=O)=O)c(O)c1C ZINC000872118573 1296743891 /nfs/dbraw/zinc/74/38/91/1296743891.db2.gz CBQNNABUOQDHBT-HNSVSWJLSA-N 1 0 337.485 3.015 10 10 EGCERO C[C@@H]1C[C@H](NCc2ccc(O)c(O)c2)CC[N@@H+]1Cc1ccccc1 ZINC000379631119 1297536684 /nfs/dbraw/zinc/53/66/84/1297536684.db2.gz RBPOZVUYNGWLDG-CRAIPNDOSA-N 1 0 326.440 3.241 10 10 EGCERO CC(=O)c1cc(Cl)cc(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)c1[O-] ZINC000878865344 1300232267 /nfs/dbraw/zinc/23/22/67/1300232267.db2.gz WNHSXFFMNWBVQP-UHFFFAOYSA-N 1 0 336.863 3.166 10 10 EGCERO CC(C)OC(=O)C1CC[NH+](C/C=C\c2ccc(N(C)C)cc2)CC1 ZINC000895828108 1309541047 /nfs/dbraw/zinc/54/10/47/1309541047.db2.gz JUNAOCARQYEEHK-WAYWQWQTSA-N 1 0 330.472 3.429 10 10 EGCERO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1cc2cc(O)c(O)cc2s1 ZINC000898440504 1310736401 /nfs/dbraw/zinc/73/64/01/1310736401.db2.gz VOLJCEYOQJYGSF-CHWSQXEVSA-N 1 0 346.452 3.059 10 10 EGCERO COc1ccc(N2CCC[N@H+](C[C@H]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000929317196 1328565919 /nfs/dbraw/zinc/56/59/19/1328565919.db2.gz WBWMVUHLZXEPQX-PIIMJCKOSA-N 1 0 332.488 3.411 10 10 EGCERO CN(C)c1cc(F)c(C[NH2+]CCC[C@H]2CCCC[C@H]2O)cc1F ZINC000858150614 1328697327 /nfs/dbraw/zinc/69/73/27/1328697327.db2.gz CHAVJAHGHLXLJH-FZKQIMNGSA-N 1 0 326.431 3.452 10 10 EGCERO CN(C)c1cc(F)c(C[NH2+][C@H]2CCC[C@@H]2Cc2cnn(C)c2)cc1F ZINC000858193631 1328708430 /nfs/dbraw/zinc/70/84/30/1328708430.db2.gz YWCPFGLGECTOKJ-KDOFPFPSSA-N 1 0 348.441 3.265 10 10 EGCERO CN(C)c1cc(F)c(C[NH2+]C[C@@H]2Cc3ccccc3CO2)cc1F ZINC000858211159 1328712782 /nfs/dbraw/zinc/71/27/82/1328712782.db2.gz FUKKDAUCFJDSCA-INIZCTEOSA-N 1 0 332.394 3.262 10 10 EGCERO O=C1[C@H]([NH2+]Cc2cc(-c3ccccc3)ccc2O)CCN1C1CCC1 ZINC000858343176 1328740969 /nfs/dbraw/zinc/74/09/69/1328740969.db2.gz UMVZPLSBNOFEOL-LJQANCHMSA-N 1 0 336.435 3.302 10 10 EGCERO C[C@@H]([NH2+][C@H](CO)c1ccnn1C)c1ccc(N2CCCCCC2)cc1 ZINC000858434184 1328761722 /nfs/dbraw/zinc/76/17/22/1328761722.db2.gz CTEJPOSLCZIOEZ-VQIMIIECSA-N 1 0 342.487 3.185 10 10 EGCERO Oc1ccccc1[C@H](CCc1ccccc1)[NH2+]C[C@H](O)[C@H]1CCCO1 ZINC000858470351 1328770087 /nfs/dbraw/zinc/77/00/87/1328770087.db2.gz YVEXQXTXVALCOL-SESVDKBCSA-N 1 0 341.451 3.196 10 10 EGCERO CCO[C@@]1(C)C[C@H]1[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000858502516 1328781861 /nfs/dbraw/zinc/78/18/61/1328781861.db2.gz MCUMBYCENMZARB-VHSSKADRSA-N 1 0 338.879 3.395 10 10 EGCERO CC[C@H]([NH2+]Cc1ccc2oc(=O)n(C)c2c1)c1ccc(C)cc1O ZINC000858539514 1328791715 /nfs/dbraw/zinc/79/17/15/1328791715.db2.gz FRXHSVWANLBFLT-HNNXBMFYSA-N 1 0 326.396 3.386 10 10 EGCERO CC[C@H]([NH2+][C@@H]1CCO[C@@H]1c1nc(C)no1)c1ccc(N(C)C)cc1 ZINC000858592011 1328803468 /nfs/dbraw/zinc/80/34/68/1328803468.db2.gz PQVUGMSYERMWQT-BBWFWOEESA-N 1 0 330.432 3.015 10 10 EGCERO Cc1noc([C@H]2OCC[C@H]2[NH2+][C@H](C)c2cc3c(cc2O)CCCC3)n1 ZINC000858592050 1328803719 /nfs/dbraw/zinc/80/37/19/1328803719.db2.gz RBDKPNDAJGTSGY-ONUMYQOESA-N 1 0 343.427 3.143 10 10 EGCERO CC[NH+](CC)[C@H](CNC(=O)NCc1c(O)cccc1F)c1ccco1 ZINC000915077716 1319418667 /nfs/dbraw/zinc/41/86/67/1319418667.db2.gz BXYRGPCYPFFPEO-OAHLLOKOSA-N 1 0 349.406 3.007 10 10 EGCERO CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000916598676 1319680940 /nfs/dbraw/zinc/68/09/40/1319680940.db2.gz KEUSCJUMLZRBMO-SFHVURJKSA-N 1 0 348.535 3.260 10 10 EGCERO CCc1[nH]nc(Cl)c1C[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000921655776 1322371600 /nfs/dbraw/zinc/37/16/00/1322371600.db2.gz KWKCRBAJHQHNMA-UHFFFAOYSA-N 1 0 348.878 3.393 10 10 EGCERO OC1CCN(c2ccc(C[NH2+]C[C@@H]3CCCC4(CCC4)O3)cc2)CC1 ZINC000922811521 1322624818 /nfs/dbraw/zinc/62/48/18/1322624818.db2.gz KSEXCSLCESTVBU-FQEVSTJZSA-N 1 0 344.499 3.229 10 10 EGCERO COc1ccc(C[NH2+][C@H]2CCS[C@@H](C)C2)cc1Cn1cccn1 ZINC000922834975 1322629074 /nfs/dbraw/zinc/62/90/74/1322629074.db2.gz WUWVYPBFYDJKGE-YOEHRIQHSA-N 1 0 331.485 3.314 10 10 EGCERO CC(C)[C@H]1COCC[C@@H]1[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000924707160 1323124152 /nfs/dbraw/zinc/12/41/52/1323124152.db2.gz KTOVWQURYJCAGP-MOPGFXCFSA-N 1 0 334.529 3.391 10 10 EGCERO C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1cc(O)cc(F)c1 ZINC000924751659 1323145760 /nfs/dbraw/zinc/14/57/60/1323145760.db2.gz TUWYXQGHTNJSOX-CQSZACIVSA-N 1 0 330.403 3.219 10 10 EGCERO COc1ccc(N2CC[C@H](C[NH2+][C@H]3CCCc4oc(C)nc43)C2)cc1 ZINC000926610503 1327634848 /nfs/dbraw/zinc/63/48/48/1327634848.db2.gz DTVVTXGCDUYOHL-QAPCUYQASA-N 1 0 341.455 3.485 10 10 EGCERO COc1ccc(N2CC[C@H](C[NH2+][C@H]3CCCN4CCCC[C@H]34)C2)cc1 ZINC000926610703 1327634952 /nfs/dbraw/zinc/63/49/52/1327634952.db2.gz FKEYJRLYPCPFIC-JRGCBEDISA-N 1 0 343.515 3.128 10 10 EGCERO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)c(O)c1 ZINC000926988630 1327809201 /nfs/dbraw/zinc/80/92/01/1327809201.db2.gz PHYQQCPXTHFKTG-DZUCGIPZSA-N 1 0 346.471 3.464 10 10 EGCERO C[C@H]([NH2+][C@H]1CCc2nnn(C)c2C1)c1ccc(N2CCCCC2)cc1 ZINC000927144238 1327890290 /nfs/dbraw/zinc/89/02/90/1327890290.db2.gz DLOSOAAKXVMUHF-RDJZCZTQSA-N 1 0 339.487 3.014 10 10 EGCERO Oc1cccc(Br)c1C[N@@H+]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000862253264 1329472063 /nfs/dbraw/zinc/47/20/63/1329472063.db2.gz KPJPUXAVTITJBI-QWHCGFSZSA-N 1 0 340.261 3.403 10 10 EGCERO CN(C)c1cc(F)c(C[N@@H+]2CC[C@H](Cc3ccncc3)C2)cc1F ZINC000862312813 1329475299 /nfs/dbraw/zinc/47/52/99/1329475299.db2.gz AGPUFHNSDKMXOR-OAHLLOKOSA-N 1 0 331.410 3.490 10 10 EGCERO CCc1cc(C[N@@H+]2CC[C@@](OC)(C(=O)OC)C2)c(O)c(C(C)(C)C)c1 ZINC000863297308 1329544788 /nfs/dbraw/zinc/54/47/88/1329544788.db2.gz SDCGRCSUDAKVSG-FQEVSTJZSA-N 1 0 349.471 3.016 10 10 EGCERO C[C@@H]1CC[C@@H](NCc2ccc(OCc3ccccc3)cc2O)C[NH2+]1 ZINC000863485127 1329557818 /nfs/dbraw/zinc/55/78/18/1329557818.db2.gz VBOFKIMIRZTNHW-CRAIPNDOSA-N 1 0 326.440 3.201 10 10 EGCERO c1cc(N2CCCCC2)ccc1C[NH2+]C[C@@H]1CC2(CO1)CCOCC2 ZINC000865781830 1329737899 /nfs/dbraw/zinc/73/78/99/1329737899.db2.gz UAEGFCGBZQFSCH-FQEVSTJZSA-N 1 0 344.499 3.352 10 10 EGCERO COc1ccc(N2CC[C@H](C[NH2+][C@@H](C3CCC3)[C@H]3CCCO3)C2)cc1 ZINC000866377074 1330103932 /nfs/dbraw/zinc/10/39/32/1330103932.db2.gz FQJLZPATAXUTMR-HBGVWJBISA-N 1 0 344.499 3.459 10 10 EGCERO C[C@@H]([NH2+][C@H]1CCN(CC(C)(C)O)C1)c1ccc(N2CCCCC2)cc1 ZINC000866411257 1330108306 /nfs/dbraw/zinc/10/83/06/1330108306.db2.gz HOOZWFKUUBRQPS-MJGOQNOKSA-N 1 0 345.531 3.173 10 10 EGCERO C[C@H](NC(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1)c1ccc(N(C)C)cc1 ZINC000868181948 1330259261 /nfs/dbraw/zinc/25/92/61/1330259261.db2.gz MQTDYFODAVIBKN-FASAQXTFSA-N 1 0 338.455 3.450 10 10 EGCERO CN1CCN(c2ccc(C[NH2+][C@@H]3CCCC(F)(F)C3)cc2F)CC1 ZINC001324049359 1387519111 /nfs/dbraw/zinc/51/91/11/1387519111.db2.gz JQXMEQVUUNIHLB-OAHLLOKOSA-N 1 0 341.421 3.245 10 10 EGCERO C[C@@H]1COCCN1CCN1CCCc2cc(OC(F)(F)F)ccc21 ZINC001191712252 1367567662 /nfs/dbraw/zinc/56/76/62/1367567662.db2.gz VJJKXFPRWWMLET-CYBMUJFWSA-N 1 0 344.377 3.059 10 10 EGCERO COc1ccc(N(C)CCN(C)C[C@@H]2CCCC[N@@H+]2C(C)C)cc1 ZINC001195787552 1368490622 /nfs/dbraw/zinc/49/06/22/1368490622.db2.gz ABBJXQRFBMOGKB-IBGZPJMESA-N 1 0 333.520 3.326 10 10 EGCERO Cc1ccc(O)c2c1[C@@H](C)C[C@H]2[NH2+]CC(C)(C)C(=O)N1CCCC1 ZINC001118808610 1371233990 /nfs/dbraw/zinc/23/39/90/1371233990.db2.gz TVMAFBSFFBSZFI-LSDHHAIUSA-N 1 0 330.472 3.487 10 10 EGCERO CN(C)c1ccc(CNC(=O)c2ccc(C[NH+]3CCCC3)o2)cc1F ZINC001142566007 1378460275 /nfs/dbraw/zinc/46/02/75/1378460275.db2.gz SIPDMMNPVUBTEG-UHFFFAOYSA-N 1 0 345.418 3.011 10 10 EGCERO CC[C@@H](SC)C(=O)N(C)C[C@@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001283599374 1379044452 /nfs/dbraw/zinc/04/44/52/1379044452.db2.gz TVDHFDPXMGYZGC-RHSMWYFYSA-N 1 0 338.517 3.082 10 10 EGCERO Oc1cc(Br)ccc1C[NH2+][C@H](C1CC1)C1CCOCC1 ZINC001327839592 1388603931 /nfs/dbraw/zinc/60/39/31/1388603931.db2.gz IELOFLLHKCRPOI-MRXNPFEDSA-N 1 0 340.261 3.450 10 10 EGCERO COc1ccc(C[NH2+][C@H](C)[C@H](C)NC(=O)/C=C/c2ccc[nH]2)cc1C ZINC001329029091 1388937710 /nfs/dbraw/zinc/93/77/10/1388937710.db2.gz YZUNXQUEXCDELP-VQVOLHRSSA-N 1 0 341.455 3.028 10 10 EGCERO COc1ccc(C[NH2+][C@H](C)CCNC(=O)c2ncccc2C)cc1C ZINC001317389704 1385110018 /nfs/dbraw/zinc/11/00/18/1385110018.db2.gz MHITVRIRFZBMPZ-MRXNPFEDSA-N 1 0 341.455 3.005 10 10 EGCERO COc1ccc(C[NH2+]CC2(NC(=O)C(C)(C)F)CCCC2)cc1C ZINC001698624637 1406265801 /nfs/dbraw/zinc/26/58/01/1406265801.db2.gz XPTYIFGXEHWEJK-UHFFFAOYSA-N 1 0 336.451 3.270 10 10 EGCERO CCN(CC[NH2+]Cc1ccc(OC)c(C)c1)C(=O)c1cc(C)co1 ZINC001320816058 1386727088 /nfs/dbraw/zinc/72/70/88/1386727088.db2.gz NKDFZCZPUBFUON-UHFFFAOYSA-N 1 0 330.428 3.157 10 10 EGCERO COc1ccc(C[NH2+]C/C=C\CNC(=O)C2(F)CCCC2)cc1C ZINC001321125941 1386817066 /nfs/dbraw/zinc/81/70/66/1386817066.db2.gz MICSKWHQPNHVGX-WAYWQWQTSA-N 1 0 334.435 3.048 10 10 EGCERO CCC(CC)C[N@H+](C)C[C@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001322305382 1387151325 /nfs/dbraw/zinc/15/13/25/1387151325.db2.gz DKMCDRVSCYHJCT-ZDUSSCGKSA-N 1 0 347.463 3.335 10 10 EGCERO Cn1c(=O)ccc2c1CCC[C@H]2[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001332610033 1390140892 /nfs/dbraw/zinc/14/08/92/1390140892.db2.gz GEMAXENLAKZQMQ-LJQANCHMSA-N 1 0 337.467 3.153 10 10 EGCERO COc1ccc(C[NH2+][C@@H](C)CCNC(=O)[C@H](C)C(F)(F)F)cc1C ZINC001480785661 1392931806 /nfs/dbraw/zinc/93/18/06/1392931806.db2.gz MLVVUPYMVRPVNE-STQMWFEESA-N 1 0 346.393 3.186 10 10 EGCERO CCCC[N@@H+]1CC[C@H](CCNC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001481461677 1394317129 /nfs/dbraw/zinc/31/71/29/1394317129.db2.gz GQTMYQYGCNZUIH-AWEZNQCLSA-N 1 0 345.447 3.091 10 10 EGCERO COc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)C2C=CC=CC=C2)cc1C ZINC001482287530 1394868293 /nfs/dbraw/zinc/86/82/93/1394868293.db2.gz RFFUHRKXDILTPW-QGZVFWFLSA-N 1 0 340.467 3.239 10 10 EGCERO COc1ccc(C[NH2+][C@@H](C)CNC(=O)C2CCC(F)CC2)cc1C ZINC001690618510 1404656128 /nfs/dbraw/zinc/65/61/28/1404656128.db2.gz BABGGBMMBTYWJD-OOHWJJMZSA-N 1 0 336.451 3.126 10 10 EGCERO COc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]2CC=CCC2)cc1C ZINC001732409737 1428570290 /nfs/dbraw/zinc/57/02/90/1428570290.db2.gz WVVCXPVUNKVMFR-FUHWJXTLSA-N 1 0 330.472 3.296 10 10 EGCERO CCc1occc1C(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001700395005 1413926388 /nfs/dbraw/zinc/92/63/88/1413926388.db2.gz OMNSPLPQQUHJMC-GJZGRUSLSA-N 1 0 344.455 3.456 10 10 EGCERO COc1ccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)C2CC3(CC3)C2)cc1C ZINC001700417597 1413964041 /nfs/dbraw/zinc/96/40/41/1413964041.db2.gz IBPAMGZVXCBSKY-LSDHHAIUSA-N 1 0 330.472 3.177 10 10 EGCERO COc1ccc(C[NH2+]CCC[C@@H](C)NC(=O)c2cc[nH]c2C)cc1C ZINC001700652860 1414315286 /nfs/dbraw/zinc/31/52/86/1414315286.db2.gz IZSPWWHVJAGTEX-OAHLLOKOSA-N 1 0 343.471 3.328 10 10 EGCERO COc1ccc(C[NH2+][C@H](C)CNC(=O)c2cccc(F)c2C)cc1C ZINC001713312152 1417936554 /nfs/dbraw/zinc/93/65/54/1417936554.db2.gz GMYAUTDDHHNVQA-CQSZACIVSA-N 1 0 344.430 3.359 10 10 EGCERO COc1ccc(C[NH2+][C@H](CNC(=O)CC2CCC2)C2CC2)cc1C ZINC001713860347 1418658026 /nfs/dbraw/zinc/65/80/26/1418658026.db2.gz FCVQYSVKSUKKPG-GOSISDBHSA-N 1 0 330.472 3.178 10 10 EGCERO CC(C)C[C@@H](C)C[NH2+]C[C@@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001715965225 1420430570 /nfs/dbraw/zinc/43/05/70/1420430570.db2.gz QDAJHTRBHDLLSR-ZIAGYGMSSA-N 1 0 347.463 3.239 10 10 EGCERO COc1ccc(C[NH2+]C[C@H](C)NC(=O)c2cccc(F)c2C)cc1C ZINC001716438248 1420659002 /nfs/dbraw/zinc/65/90/02/1420659002.db2.gz PUCKFXAEXDIDTF-AWEZNQCLSA-N 1 0 344.430 3.359 10 10 EGCERO COc1ccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)Cc2ccccc2)cc1C ZINC001725090740 1425532850 /nfs/dbraw/zinc/53/28/50/1425532850.db2.gz HSSXLFURJPDVBE-IAGOWNOFSA-N 1 0 340.467 3.229 10 10 EGCERO CCC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001731297277 1427240128 /nfs/dbraw/zinc/24/01/28/1427240128.db2.gz MGTVFJOJABOLBA-CZUORRHYSA-N 1 0 345.447 3.232 10 10 EGCERO COc1ccc(C[NH2+][C@H](CNC(=O)c2cocc2C)C2CC2)cc1C ZINC001731401990 1427361829 /nfs/dbraw/zinc/36/18/29/1427361829.db2.gz INLCKYAKUKBUQT-GOSISDBHSA-N 1 0 342.439 3.203 10 10 EGCERO COc1ccc(C[NH2+]CCN(C)C(=O)[C@@H]2CC[C@@H]3C[C@@H]3CC2)cc1C ZINC001731935611 1428175680 /nfs/dbraw/zinc/17/56/80/1428175680.db2.gz AHEVDKRILRVCDO-LDLYASANSA-N 1 0 344.499 3.378 10 10 EGCERO COc1ccc(C[NH2+][C@H](C)[C@H](C)NC(=O)c2cocc2C)cc1C ZINC001733991411 1437786543 /nfs/dbraw/zinc/78/65/43/1437786543.db2.gz GBZBHYXQIFOBDL-CABCVRRESA-N 1 0 330.428 3.202 10 10 EGCERO COc1ccc(C[NH2+][C@H](CCNC(=O)C2(C)CC2)C(C)C)cc1C ZINC001734286536 1438014870 /nfs/dbraw/zinc/01/48/70/1438014870.db2.gz RACXOZDTZAXNNG-QGZVFWFLSA-N 1 0 332.488 3.424 10 10 EGCERO CCN(C)c1ccc(C[NH2+][C@](C)(CO)Cc2ccc(OC)cc2)cc1 ZINC001473839048 1126199625 /nfs/dbraw/zinc/19/96/25/1126199625.db2.gz QLDMMJGVXYHGJC-NRFANRHFSA-N 1 0 342.483 3.235 10 10 EGCERO CC[C@@H](c1cc(Br)ccc1O)N(C)[C@@H]1CCC[NH2+]C1 ZINC000104354190 219377545 /nfs/dbraw/zinc/37/75/45/219377545.db2.gz XOFRIDYBAFPPBQ-OCCSQVGLSA-N 1 0 327.266 3.290 10 10 EGCERO CN(C)c1ccc([C@H](CNC(=O)CC(C)(C)C)[NH+]2CCCC2)cc1 ZINC000005097900 210390446 /nfs/dbraw/zinc/39/04/46/210390446.db2.gz HKKRIQBFZMQEQO-SFHVURJKSA-N 1 0 331.504 3.442 10 10 EGCERO CN(C)c1ccc([C@H](CNC(=O)c2cccs2)[NH+]2CCCC2)cc1 ZINC000005098004 210390279 /nfs/dbraw/zinc/39/02/79/210390279.db2.gz CMNZQIUFQIOUKC-KRWDZBQOSA-N 1 0 343.496 3.381 10 10 EGCERO COc1ccc(O)c(C[N@@H+]2CCC[C@H]2C[C@@H](O)c2ccccc2)c1 ZINC000245654143 455349024 /nfs/dbraw/zinc/34/90/24/455349024.db2.gz IJEHCCOOSZPCJL-FXAWDEMLSA-N 1 0 327.424 3.489 10 10 EGCERO NC(=O)[C@H]1Cc2ccccc2CN1Cc1ccc(N2CCCCC2)cc1 ZINC000119755600 454218244 /nfs/dbraw/zinc/21/82/44/454218244.db2.gz ICYNKAANBDSIFO-OAQYLSRUSA-N 1 0 349.478 3.089 10 10 EGCERO CC[C@@H]([NH2+]Cc1ccccc1O)c1ccccc1OCC(=O)N(C)C ZINC000071792543 454218705 /nfs/dbraw/zinc/21/87/05/454218705.db2.gz ITIOFDVDPLAISX-QGZVFWFLSA-N 1 0 342.439 3.100 10 10 EGCERO Cc1ccccc1[C@H](C)[NH2+]CC(=O)NCc1ccc(N(C)C)cc1 ZINC000102683886 454516101 /nfs/dbraw/zinc/51/61/01/454516101.db2.gz XXFYGXAIAIDWQJ-INIZCTEOSA-N 1 0 325.456 3.028 10 10 EGCERO Oc1ccc2ccccc2c1C[NH+]1CCC(Nc2cccnn2)CC1 ZINC000156474412 455123025 /nfs/dbraw/zinc/12/30/25/455123025.db2.gz SLZWGZCJDYQHNT-UHFFFAOYSA-N 1 0 334.423 3.412 10 10 EGCERO CC(C)c1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1ccc(N(C)C)cc1)CC2 ZINC000180644812 455217418 /nfs/dbraw/zinc/21/74/18/455217418.db2.gz COTKUHQHYSERFX-ZBFHGGJFSA-N 1 0 327.476 3.133 10 10 EGCERO Cc1ncsc1CN(C)C[C@@H]1CC[N@H+](Cc2cccc(C)c2O)C1 ZINC000190470559 455325343 /nfs/dbraw/zinc/32/53/43/455325343.db2.gz DFVPPQOEFHZMBL-INIZCTEOSA-N 1 0 345.512 3.419 10 10 EGCERO C[C@H]([NH2+]Cc1cccnc1-n1cccn1)c1ccc(F)c(F)c1[O-] ZINC000191199243 455462722 /nfs/dbraw/zinc/46/27/22/455462722.db2.gz MCCVLLSVAFDPFZ-NSHDSACASA-N 1 0 330.338 3.102 10 10 EGCERO CCOC(=O)c1csc(CC[NH2+][C@H](C)c2cc(C)ccc2O)n1 ZINC000191559462 455496834 /nfs/dbraw/zinc/49/68/34/455496834.db2.gz JYUHLRWZZSIVOC-GFCCVEGCSA-N 1 0 334.441 3.227 10 10 EGCERO Cc1ccc([C@H](C)[NH2+][C@@H](Cc2ccccc2)C(=O)N(C)C)c(O)c1 ZINC000185408053 455555771 /nfs/dbraw/zinc/55/57/71/455555771.db2.gz LXBMFRMBWVNAAQ-YJBOKZPZSA-N 1 0 326.440 3.051 10 10 EGCERO CCN(C)c1ccc([C@H](C)[NH2+][C@H]2CCCN(c3ncccn3)C2)cc1 ZINC000247154262 455566801 /nfs/dbraw/zinc/56/68/01/455566801.db2.gz TVXMXCCGFIQYRN-WMZOPIPTSA-N 1 0 339.487 3.252 10 10 EGCERO COc1c(O)c(C[N@@H+]2CCCC[C@@H]2c2cccn2C)ccc1[N+](=O)[O-] ZINC000278210001 455787683 /nfs/dbraw/zinc/78/76/83/455787683.db2.gz KFFJSXCWXFPDLQ-OAHLLOKOSA-N 1 0 345.399 3.375 10 10 EGCERO COCCOc1ccc(C[NH2+]Cc2cc(Cl)c(F)cc2[O-])cc1 ZINC000294477537 455817277 /nfs/dbraw/zinc/81/72/77/455817277.db2.gz ZTEZDAJPCOFOOR-UHFFFAOYSA-N 1 0 339.794 3.500 10 10 EGCERO CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000294882756 455830714 /nfs/dbraw/zinc/83/07/14/455830714.db2.gz QVTPJQAFFZJEMM-SFHVURJKSA-N 1 0 343.496 3.095 10 10 EGCERO CCOc1ccc(O)c(C[NH2+][C@@H]2CCO[C@@H](c3cccnc3)C2)c1 ZINC000294964691 455833352 /nfs/dbraw/zinc/83/33/52/455833352.db2.gz IOGCZAYVZGLMCE-VQIMIIECSA-N 1 0 328.412 3.196 10 10 EGCERO CCCN(CCC)c1ccc(C[N@@H+]2CC[C@@]3(CNC(=O)C3)C2)cc1 ZINC000279330801 455862754 /nfs/dbraw/zinc/86/27/54/455862754.db2.gz DAUVUWIUOAKHKP-HXUWFJFHSA-N 1 0 329.488 3.025 10 10 EGCERO C[C@H]([NH2+][C@@H]1C[C@H]2OCCC[C@H]12)c1cc(Br)ccc1O ZINC000187284976 455890476 /nfs/dbraw/zinc/89/04/76/455890476.db2.gz CTLIXVNQHIQNRT-AGNJHWRGSA-N 1 0 326.234 3.373 10 10 EGCERO Cn1nccc1C1=CC[N@H+](Cc2cc(Br)ccc2O)CC1 ZINC000289320753 456122182 /nfs/dbraw/zinc/12/21/82/456122182.db2.gz FQQLTUCFSCUYHF-UHFFFAOYSA-N 1 0 348.244 3.178 10 10 EGCERO c1cc(N2CCCCC2)ccc1C[N@@H+]1CCO[C@]2(CCCOC2)C1 ZINC000289639667 456133372 /nfs/dbraw/zinc/13/33/72/456133372.db2.gz XMQSCPIJBYMDGU-HXUWFJFHSA-N 1 0 330.472 3.058 10 10 EGCERO Cc1ccc([C@@H](C)[NH2+][C@H]2CCCN(c3ncccn3)C2)c(O)c1C ZINC000273433896 456230245 /nfs/dbraw/zinc/23/02/45/456230245.db2.gz WKCAJHTYVNHWJN-CVEARBPZSA-N 1 0 326.444 3.119 10 10 EGCERO Cc1ccc([C@@H](C)[NH2+][C@@H](Cc2ccccc2)C(=O)N(C)C)c(O)c1C ZINC000273582577 456238751 /nfs/dbraw/zinc/23/87/51/456238751.db2.gz NBNCADDSRVBGPY-APWZRJJASA-N 1 0 340.467 3.359 10 10 EGCERO Cc1cc(Cl)cc(C[NH2+][C@@]2(CO)CCOc3ccccc32)c1O ZINC000282414653 456504882 /nfs/dbraw/zinc/50/48/82/456504882.db2.gz SHDBEFSXSLGUFG-GOSISDBHSA-N 1 0 333.815 3.114 10 10 EGCERO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCC3(CCOCC3)[C@@H]2O)c(O)c1C ZINC000283370717 456766911 /nfs/dbraw/zinc/76/69/11/456766911.db2.gz NXWZPZDNTWYHGA-TXPKVOOTSA-N 1 0 333.472 3.227 10 10 EGCERO CC[C@H]([NH2+]C[C@H]1CCC2(CCOCC2)[C@H]1O)c1ccc(N(C)C)cc1 ZINC000283493659 456791933 /nfs/dbraw/zinc/79/19/33/456791933.db2.gz YGNIPANECXPWAJ-HOJAQTOUSA-N 1 0 346.515 3.361 10 10 EGCERO COc1ccc(NC(=O)[C@@H]2CCC[N@@H+]2Cc2cccc(C)c2O)cc1 ZINC000378444400 457397247 /nfs/dbraw/zinc/39/72/47/457397247.db2.gz WRQIVZTZYSBNIB-SFHVURJKSA-N 1 0 340.423 3.312 10 10 EGCERO COc1ccc(O)c([C@H](C)[NH2+]C2CCC(c3nc(C)no3)CC2)c1 ZINC000363860978 457455997 /nfs/dbraw/zinc/45/59/97/457455997.db2.gz VXTLCGOHIQESNS-XGNXJENSSA-N 1 0 331.416 3.469 10 10 EGCERO COc1ccc(N2CCCN(Cc3ncc(C4CC4)o3)CC2)cc1 ZINC000372842427 458333952 /nfs/dbraw/zinc/33/39/52/458333952.db2.gz YYHHTPZHIZDKRT-UHFFFAOYSA-N 1 0 327.428 3.273 10 10 EGCERO Cc1cc(Cl)cc(C[N@H+]2C[C@H](C)O[C@]3(CCCOC3)C2)c1O ZINC000373634859 458559806 /nfs/dbraw/zinc/55/98/06/458559806.db2.gz GEFSISIJAOKJIM-SUMWQHHRSA-N 1 0 325.836 3.124 10 10 EGCERO Oc1cc(Br)ccc1C[NH2+]C[C@@H]1CCN1C1CCCC1 ZINC000529668911 459833191 /nfs/dbraw/zinc/83/31/91/459833191.db2.gz JCFVLWUQYMCNPF-HNNXBMFYSA-N 1 0 339.277 3.261 10 10 EGCERO Cc1cc(CC[NH2+]Cc2cnc(N(C)C)nc2)c(C)n1-c1ccccc1 ZINC000727465493 574669487 /nfs/dbraw/zinc/66/94/87/574669487.db2.gz LROPZEUCIXQSIQ-UHFFFAOYSA-N 1 0 349.482 3.282 10 10 EGCERO COCCN1CC[C@H]([NH2+]Cc2cc(C)n(-c3cccc(C)c3)c2C)C1 ZINC000730817066 575023663 /nfs/dbraw/zinc/02/36/63/575023663.db2.gz FUMQUWCJVOAFQL-FQEVSTJZSA-N 1 0 341.499 3.213 10 10 EGCERO Cc1cc(CCNC(=O)[C@H](C(C)C)[NH+](C)C)c(C)n1-c1ccccc1 ZINC000732053785 575234361 /nfs/dbraw/zinc/23/43/61/575234361.db2.gz FZJTVQJCCYCGPS-FQEVSTJZSA-N 1 0 341.499 3.339 10 10 EGCERO Cc1cc(O)c(C[NH2+][C@H](C)c2cccc(NS(C)(=O)=O)c2)cc1C ZINC000742369265 576774535 /nfs/dbraw/zinc/77/45/35/576774535.db2.gz QUFZAXYNKKRHJE-CQSZACIVSA-N 1 0 348.468 3.231 10 10 EGCERO Cc1cn(C(C)(C)C(=O)NCc2ccc(N3CCCCC3)cc2)cn1 ZINC000895940425 1309602317 /nfs/dbraw/zinc/60/23/17/1309602317.db2.gz NSAZFNIZDVHJMH-UHFFFAOYSA-N 1 0 340.471 3.233 10 10 EGCERO CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000090201568 1292791561 /nfs/dbraw/zinc/79/15/61/1292791561.db2.gz SZGAFRQGSGQMAW-INIZCTEOSA-N 1 0 332.444 3.111 10 10 EGCERO COc1cc(Br)cc(C[NH+]2C[C@H]3CCC[C@@H]3C2)c1O ZINC000093442999 1292920738 /nfs/dbraw/zinc/92/07/38/1292920738.db2.gz GPVBUGTXOBMUPH-GHMZBOCLSA-N 1 0 326.234 3.395 10 10 EGCERO Cc1cccc(C[N@@H+]2C[C@@H]3CC[C@H](NC(=O)OC(C)(C)C)[C@H]3C2)c1O ZINC000248577497 1296421337 /nfs/dbraw/zinc/42/13/37/1296421337.db2.gz DVCOYBJWJTTXNX-XIRDDKMYSA-N 1 0 346.471 3.436 10 10 EGCERO C[C@@H]([NH2+]CC1C[C@H]2CC[C@@H](C1)S2(=O)=O)c1cc(Cl)ccc1O ZINC000872118764 1296744402 /nfs/dbraw/zinc/74/44/02/1296744402.db2.gz HXLJRQHDOIJEHS-WDFAYWTNSA-N 1 0 343.876 3.052 10 10 EGCERO CC(=O)c1cc(F)cc(CN2CCC(C)([NH+]3CCCC3)CC2)c1O ZINC000879201819 1300426263 /nfs/dbraw/zinc/42/62/63/1300426263.db2.gz UIHXGZSDXUSYNB-UHFFFAOYSA-N 1 0 334.435 3.184 10 10 EGCERO COc1cc(C)cc(C[NH2+][C@@H]2CCOC3(CCSCC3)C2)c1O ZINC000894359365 1306358912 /nfs/dbraw/zinc/35/89/12/1306358912.db2.gz NVNTVMHIGDHLHI-OAHLLOKOSA-N 1 0 337.485 3.244 10 10 EGCERO COc1cc(C)cc(C[NH2+][C@H]2CCN(C)[C@H]2c2ccccc2)c1O ZINC000894368793 1306363431 /nfs/dbraw/zinc/36/34/31/1306363431.db2.gz VGHDJHNCWGJQCP-HKUYNNGSSA-N 1 0 326.440 3.244 10 10 EGCERO Oc1cc(Br)ccc1C[NH2+]CC1(C2(O)CCC2)CCC1 ZINC000895868959 1309572153 /nfs/dbraw/zinc/57/21/53/1309572153.db2.gz SOYQJEHMUBEVPV-UHFFFAOYSA-N 1 0 340.261 3.330 10 10 EGCERO C[C@@H]([NH2+]C[C@@H](n1cccn1)C(F)(F)F)c1ccc(N(C)C)cc1 ZINC000858449099 1328765616 /nfs/dbraw/zinc/76/56/16/1328765616.db2.gz WNYZXACZDNOHEI-IUODEOHRSA-N 1 0 326.366 3.403 10 10 EGCERO Oc1ccccc1[C@H](CCc1ccccc1)[NH2+]C[C@@H](O)[C@H]1CCCO1 ZINC000858470349 1328770029 /nfs/dbraw/zinc/77/00/29/1328770029.db2.gz YVEXQXTXVALCOL-CEWLAPEOSA-N 1 0 341.451 3.196 10 10 EGCERO Cc1noc([C@H]2OCC[C@H]2[NH2+][C@@H](C)c2cc3c(cc2O)CCCC3)n1 ZINC000858592049 1328804187 /nfs/dbraw/zinc/80/41/87/1328804187.db2.gz RBDKPNDAJGTSGY-LSKLOWJMSA-N 1 0 343.427 3.143 10 10 EGCERO COc1ccc2c(c1)C[C@H](C[NH2+][C@@H](C)c1cc(OC)ccc1O)O2 ZINC000930216408 1328813782 /nfs/dbraw/zinc/81/37/82/1328813782.db2.gz HEWQOQOTQAGNDO-BLLLJJGKSA-N 1 0 329.396 3.064 10 10 EGCERO Cc1cc(C(=O)N[C@@H]2CCC[N@@H+](C)C2)c(C)n1-c1ccc(F)cc1 ZINC000918709226 1321981741 /nfs/dbraw/zinc/98/17/41/1321981741.db2.gz YNTMWONGRPMUFH-MRXNPFEDSA-N 1 0 329.419 3.057 10 10 EGCERO COC(=O)[C@@H](C)Oc1ccccc1C[NH2+][C@@H](C)c1ccccc1O ZINC000922328961 1322502680 /nfs/dbraw/zinc/50/26/80/1322502680.db2.gz KHNQXJMVOJVRQC-UONOGXRCSA-N 1 0 329.396 3.183 10 10 EGCERO C[C@@H]1[C@H](C)OC[C@]12CC[C@H](C[NH2+]Cc1ccc3c(c1)CCCO3)O2 ZINC000922339322 1322505471 /nfs/dbraw/zinc/50/54/71/1322505471.db2.gz PITVYWIOTGFPJR-BAAGSCJXSA-N 1 0 331.456 3.074 10 10 EGCERO C[C@@H]1OC[C@]2(CC[C@H](C[NH2+]Cc3ccc4c(c3)CCCO4)O2)[C@H]1C ZINC000922339320 1322505637 /nfs/dbraw/zinc/50/56/37/1322505637.db2.gz PITVYWIOTGFPJR-AIUZKBQUSA-N 1 0 331.456 3.074 10 10 EGCERO O=c1[nH]cc(C[NH2+]Cc2ccc(N3CCOCC3)cc2)c2ccccc12 ZINC000922495967 1322542906 /nfs/dbraw/zinc/54/29/06/1322542906.db2.gz KDESJTGAGIADQP-UHFFFAOYSA-N 1 0 349.434 3.067 10 10 EGCERO COc1ccc(N2CC[C@H]([NH2+][C@H]3CCCC[C@@H]3CCCO)C2)cc1 ZINC000926680629 1327665030 /nfs/dbraw/zinc/66/50/30/1327665030.db2.gz QEFYEVZHMYBKMT-UWVAXJGDSA-N 1 0 332.488 3.195 10 10 EGCERO CC[C@H](C[C@](C)(O)CC)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000926725141 1327685502 /nfs/dbraw/zinc/68/55/02/1327685502.db2.gz QESMNCRKXOKOQJ-YLJYHZDGSA-N 1 0 334.504 3.067 10 10 EGCERO COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C2CCC(C)([NH+]3CCC3)CC2)c1 ZINC000927039514 1327828202 /nfs/dbraw/zinc/82/82/02/1327828202.db2.gz UUWGTXMABMXUEC-PCVOSPCESA-N 1 0 346.471 3.236 10 10 EGCERO C[C@@H]([NH2+]C[C@H](O)c1ccnn1C)c1ccc(N2CCCCCC2)cc1 ZINC000927131521 1327883187 /nfs/dbraw/zinc/88/31/87/1327883187.db2.gz JIJNYKYLYDZLFT-UZLBHIALSA-N 1 0 342.487 3.185 10 10 EGCERO O=C(NCc1c(O)cccc1F)c1ccc(C[NH+]2CCCC2)cc1 ZINC000928709066 1328405140 /nfs/dbraw/zinc/40/51/40/1328405140.db2.gz XDMYMEJAXDTMJJ-UHFFFAOYSA-N 1 0 328.387 3.057 10 10 EGCERO C[C@](CO)([NH2+]Cc1ccc(N2CCCCC2)cc1)c1cccc(O)c1 ZINC000862431876 1329486104 /nfs/dbraw/zinc/48/61/04/1329486104.db2.gz OOUDWZUCWQWCGO-OAQYLSRUSA-N 1 0 340.467 3.380 10 10 EGCERO COc1ccc(N2CC[C@@H]([NH2+]Cc3cccc(NC(C)=O)c3)C2)cc1 ZINC000865622376 1329721681 /nfs/dbraw/zinc/72/16/81/1329721681.db2.gz UFRUSGDZDFSTHF-GOSISDBHSA-N 1 0 339.439 3.022 10 10 EGCERO COc1ccc(N2CC[C@@H]([NH2+][C@H](C)CCc3cccnc3)C2)cc1 ZINC000866384355 1330104533 /nfs/dbraw/zinc/10/45/33/1330104533.db2.gz AITCOOGOYSXUPS-SJLPKXTDSA-N 1 0 325.456 3.280 10 10 EGCERO C[C@H]([NH2+]Cc1ccnc(-n2cncn2)c1)c1cc2c(cc1O)CCCC2 ZINC000866436102 1330112254 /nfs/dbraw/zinc/11/22/54/1330112254.db2.gz RWVMTELSMVQJQK-AWEZNQCLSA-N 1 0 349.438 3.098 10 10 EGCERO CCOC(=O)c1cc(C[NH2+][C@@H](C)c2cc(Cl)cc(C)c2O)on1 ZINC000866517195 1330121054 /nfs/dbraw/zinc/12/10/54/1330121054.db2.gz YDCMIVSPQJFQHU-JTQLQIEISA-N 1 0 338.791 3.370 10 10 EGCERO COc1ccc(C[NH2+][C@@H](CNC(=O)c2ccoc2)C(C)C)cc1C ZINC001268204099 1377494276 /nfs/dbraw/zinc/49/42/76/1377494276.db2.gz TZDLZOLZDRBOTP-KRWDZBQOSA-N 1 0 330.428 3.141 10 10 EGCERO COc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)c2ccsc2)cc1C ZINC001270886581 1377616138 /nfs/dbraw/zinc/61/61/38/1377616138.db2.gz FYYHQKGOKSBCPB-CQSZACIVSA-N 1 0 332.469 3.315 10 10 EGCERO CCC[N@@H+]1CCC[C@@H](C(=O)NCc2ccc(N(CC)CC)c(F)c2)C1 ZINC001144979003 1378786344 /nfs/dbraw/zinc/78/63/44/1378786344.db2.gz YQZQOSMKQBKHME-QGZVFWFLSA-N 1 0 349.494 3.410 10 10 EGCERO COc1ccc(C[NH2+]C[C@H](C2CC2)N(C)C(=O)C=C2CCC2)cc1C ZINC001283495218 1378988692 /nfs/dbraw/zinc/98/86/92/1378988692.db2.gz VYVZDDGGJKYNIA-LJQANCHMSA-N 1 0 342.483 3.441 10 10 EGCERO Cc1cc(C(=O)N2CC[NH2+]C(C)(C)C2)c(C)n1-c1ccccc1C ZINC001149328749 1379365544 /nfs/dbraw/zinc/36/55/44/1379365544.db2.gz MXFRZCBAYCYWSV-UHFFFAOYSA-N 1 0 325.456 3.227 10 10 EGCERO COc1ccc(C[NH2+][C@@H](C)CCNC(=O)[C@H](C)C2CCC2)cc1C ZINC001317399200 1385115064 /nfs/dbraw/zinc/11/50/64/1385115064.db2.gz UIQQXYSYOSEZDL-JKSUJKDBSA-N 1 0 332.488 3.424 10 10 EGCERO CCC(=O)NCc1ccc(C[NH2+]Cc2ccc(OC)c(C)c2)cc1 ZINC001318987489 1385910210 /nfs/dbraw/zinc/91/02/10/1385910210.db2.gz DQBILIBCCLYNDF-UHFFFAOYSA-N 1 0 326.440 3.320 10 10 EGCERO COc1ccc(C[NH2+]C[C@H](C)NC(=O)c2cccc(C)c2)cc1C ZINC001321778399 1386982253 /nfs/dbraw/zinc/98/22/53/1386982253.db2.gz FGIDLEHQJGOUMH-INIZCTEOSA-N 1 0 326.440 3.220 10 10 EGCERO CCOC(=O)c1cc(C[NH2+][C@@H]2C[C@H](C)c3c2c(O)ccc3C)on1 ZINC001329375385 1389083144 /nfs/dbraw/zinc/08/31/44/1389083144.db2.gz KYJVRFGYWMPEPH-WCQYABFASA-N 1 0 330.384 3.203 10 10 EGCERO COc1ccc(C[NH2+][C@H](CCNC(C)=O)Cc2ccccc2)cc1C ZINC001332220037 1390052817 /nfs/dbraw/zinc/05/28/17/1390052817.db2.gz RLXRXSATVJBSPA-HXUWFJFHSA-N 1 0 340.467 3.231 10 10 EGCERO CC[C@H](F)C(=O)N[C@@H](C[NH2+]Cc1ccc(OC)c(C)c1)C(C)(C)C ZINC001332837023 1390197041 /nfs/dbraw/zinc/19/70/41/1390197041.db2.gz IKGXUPUJHDOHKV-RDJZCZTQSA-N 1 0 338.467 3.372 10 10 EGCERO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]Cc1nnc(C2CCOCC2)[nH]1 ZINC001335520967 1390697936 /nfs/dbraw/zinc/69/79/36/1390697936.db2.gz KFGFLHUZFYDNJG-OCCSQVGLSA-N 1 0 342.443 3.051 10 10 EGCERO C[C@H](NC(=O)[C@H]1CC[C@H]2C[C@@H](C)C[N@@H+]2C1)c1ccc(N(C)C)cc1 ZINC001346765262 1390978219 /nfs/dbraw/zinc/97/82/19/1390978219.db2.gz VCQPGEZOSSIJGJ-YEWFCNIMSA-N 1 0 329.488 3.050 10 10 EGCERO c1cc(N2CCCC2)ccc1C[NH2+]C[C@@H]1CCC2(CCOCC2)CO1 ZINC001353559179 1392039689 /nfs/dbraw/zinc/03/96/89/1392039689.db2.gz FCESYPXYIWHZRQ-FQEVSTJZSA-N 1 0 344.499 3.352 10 10 EGCERO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)/C=C\c3ccco3)C2)cc1C ZINC001480124624 1392595739 /nfs/dbraw/zinc/59/57/39/1392595739.db2.gz LKMSWABUJHPFOD-PLGJKHDHSA-N 1 0 340.423 3.047 10 10 EGCERO COc1ccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)c2ccccc2)cc1C ZINC001485115441 1395663547 /nfs/dbraw/zinc/66/35/47/1395663547.db2.gz FEWJCGDGBHBRNY-JKSUJKDBSA-N 1 0 326.440 3.300 10 10 EGCERO C[C@H]1CCC(C)(C)N1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001687807809 1396498761 /nfs/dbraw/zinc/49/87/61/1396498761.db2.gz VZLPTJNENCZNPQ-YJBOKZPZSA-N 1 0 346.519 3.328 10 10 EGCERO CCC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001496492475 1396709940 /nfs/dbraw/zinc/70/99/40/1396709940.db2.gz UOMUBNHVHZJKFM-CZUORRHYSA-N 1 0 345.447 3.089 10 10 EGCERO C/C=C(\C)C(=O)N[C@@H]1CCC[C@@H]1C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001699014378 1406846084 /nfs/dbraw/zinc/84/60/84/1406846084.db2.gz MOCQJNRHLIEGIO-HHEQTWLRSA-N 1 0 330.472 3.344 10 10 EGCERO COc1ccc(C[NH2+]CCN(C)C(=O)[C@@H]2CCC[C@H](C)C2)cc1C ZINC001691453951 1405278568 /nfs/dbraw/zinc/27/85/68/1405278568.db2.gz OJCBTXFTLJHFGD-MAUKXSAKSA-N 1 0 332.488 3.378 10 10 EGCERO CC[C@@H](CNC(=O)c1occc1C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001732192714 1428444095 /nfs/dbraw/zinc/44/40/95/1428444095.db2.gz VEZSKUWMRXMPJO-INIZCTEOSA-N 1 0 330.428 3.203 10 10 EGCERO COc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)c2cc(Cl)c[nH]2)cc1C ZINC001732406666 1428569402 /nfs/dbraw/zinc/56/94/02/1428569402.db2.gz JGSYIMARMLZISC-ZDUSSCGKSA-N 1 0 349.862 3.235 10 10 EGCERO COc1ccc(C[NH2+]C/C=C/CNC(=O)c2cscc2C)cc1C ZINC001699243154 1412594166 /nfs/dbraw/zinc/59/41/66/1412594166.db2.gz QOJWDMDALBIAKG-SNAWJCMRSA-N 1 0 344.480 3.449 10 10 EGCERO COc1ccc(C[NH2+]CCCN(C)C(=O)CCC(F)(F)F)cc1C ZINC001699498103 1412890582 /nfs/dbraw/zinc/89/05/82/1412890582.db2.gz KFFNDOCITCKPOX-UHFFFAOYSA-N 1 0 346.393 3.284 10 10 EGCERO COc1ccc(C[NH2+]C/C=C\CNC(=O)c2sccc2C)cc1C ZINC001732816067 1428992524 /nfs/dbraw/zinc/99/25/24/1428992524.db2.gz GTMYDTNPCCUYSA-PLNGDYQASA-N 1 0 344.480 3.449 10 10 EGCERO CCc1ccccc1C(=O)NC[C@@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001713332813 1417957134 /nfs/dbraw/zinc/95/71/34/1417957134.db2.gz NERXARLXGRTGOR-MRXNPFEDSA-N 1 0 340.467 3.474 10 10 EGCERO CC[C@H](CNC(=O)c1cc(C)[nH]c1C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001714105785 1418904776 /nfs/dbraw/zinc/90/47/76/1418904776.db2.gz CEWJLBGFEWXWHQ-QGZVFWFLSA-N 1 0 343.471 3.247 10 10 EGCERO COc1ccc(C[NH2+][C@@H](C)CNC(=O)[C@@H](C)c2ccccc2)cc1C ZINC001714299020 1419078127 /nfs/dbraw/zinc/07/81/27/1419078127.db2.gz HSVOESLNCXNPIW-IRXDYDNUSA-N 1 0 340.467 3.402 10 10 EGCERO CC[C@H](CNC(=O)Cc1occc1C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001715078250 1419813520 /nfs/dbraw/zinc/81/35/20/1419813520.db2.gz DBZKWQDLGQWBMH-QGZVFWFLSA-N 1 0 344.455 3.132 10 10 EGCERO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)CCCF)[C@@H](C)C2)cc1C ZINC001723856565 1424586567 /nfs/dbraw/zinc/58/65/67/1424586567.db2.gz APPKLIMONAFDFC-DOTOQJQBSA-N 1 0 336.451 3.222 10 10 EGCERO COc1ccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)Cc2ccc(C)o2)cc1C ZINC001725095050 1425538525 /nfs/dbraw/zinc/53/85/25/1425538525.db2.gz RMGGPMGCNMFQRE-HZPDHXFCSA-N 1 0 344.455 3.131 10 10 EGCERO COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)CCc2ccco2)cc1C ZINC001725483521 1426159912 /nfs/dbraw/zinc/15/99/12/1426159912.db2.gz ZMPOZFJRMOGZPT-MRXNPFEDSA-N 1 0 344.455 3.166 10 10 EGCERO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)CCC(C)(F)F)C2)cc1C ZINC001731447580 1427424673 /nfs/dbraw/zinc/42/46/73/1427424673.db2.gz XPYRLSJKSFXSMH-SHTZXODSSA-N 1 0 340.414 3.176 10 10 EGCERO C=C/C(C)=C\CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001731451565 1427428038 /nfs/dbraw/zinc/42/80/38/1427428038.db2.gz PTSYKSCHGCFXLP-GTNCECTCSA-N 1 0 328.456 3.263 10 10 EGCERO COc1ccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)c2scnc2C)cc1C ZINC001733962289 1437767780 /nfs/dbraw/zinc/76/77/80/1437767780.db2.gz JFTODLXVWGGRQN-CHWSQXEVSA-N 1 0 347.484 3.065 10 10 EGCERO CC[C@@H](F)C(=O)N(C)[C@@H](C[NH2+]Cc1ccc(OC)c(C)c1)C1CC1 ZINC001734302330 1438033863 /nfs/dbraw/zinc/03/38/63/1438033863.db2.gz GRBRYQVMWLCVGK-SJORKVTESA-N 1 0 336.451 3.078 10 10 EGCERO Cc1cc(C(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)c(C)n1-c1ccccc1 ZINC000095392649 218324403 /nfs/dbraw/zinc/32/44/03/218324403.db2.gz OEQNYSKMTROIMG-LJQANCHMSA-N 1 0 337.467 3.404 10 10 EGCERO COc1cc(Cl)cc(C[NH2+]C[C@@H](n2cccn2)C(F)(F)F)c1O ZINC000529638056 313375636 /nfs/dbraw/zinc/37/56/36/313375636.db2.gz XIXIKLPZAWJAJA-GFCCVEGCSA-N 1 0 349.740 3.144 10 10 EGCERO CCN(CC)c1ccc(C[NH2+][C@@H]2CCCc3[nH]c(=O)ccc32)cc1 ZINC000067504309 453936255 /nfs/dbraw/zinc/93/62/55/453936255.db2.gz JWPSTYSCBJYQTR-GOSISDBHSA-N 1 0 325.456 3.388 10 10 EGCERO CCOCc1cc(C[NH2+]C[C@@H]2CCCn3ccnc32)ccc1OC ZINC000084802762 454010996 /nfs/dbraw/zinc/01/09/96/454010996.db2.gz GVKXNSQXWJOQEJ-INIZCTEOSA-N 1 0 329.444 3.095 10 10 EGCERO C[C@H](NC[C@H](O)C[NH+]1CCCCC1)c1ccc(N2CCCCC2)cc1 ZINC000151244270 454958090 /nfs/dbraw/zinc/95/80/90/454958090.db2.gz VIALHGFCRCOJGX-RXVVDRJESA-N 1 0 345.531 3.174 10 10 EGCERO C[C@H]([NH2+]CCCN1CCOC1=O)c1ccc(N2CCCCC2)c(F)c1 ZINC000178585563 454962913 /nfs/dbraw/zinc/96/29/13/454962913.db2.gz XUOZEFVSJPHUHX-HNNXBMFYSA-N 1 0 349.450 3.309 10 10 EGCERO C[C@H]([NH2+][C@H]1CCN(Cc2ccccn2)C[C@H]1C)c1ccccc1O ZINC000183517445 455302945 /nfs/dbraw/zinc/30/29/45/455302945.db2.gz DHPKXFIATQNYQP-GJYPPUQNSA-N 1 0 325.456 3.348 10 10 EGCERO CCO[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)ccc2O)C12CCOCC2 ZINC000185662831 455591969 /nfs/dbraw/zinc/59/19/69/455591969.db2.gz DKUXZHJTSHWNKA-JKSUJKDBSA-N 1 0 325.836 3.109 10 10 EGCERO C[C@H]([NH2+][C@H]1CCN(C(=O)C2CCCCC2)C1)c1cc(F)ccc1O ZINC000185764012 455618509 /nfs/dbraw/zinc/61/85/09/455618509.db2.gz DTSRSKNVHVOHKT-BBRMVZONSA-N 1 0 334.435 3.363 10 10 EGCERO C[C@H]([NH2+][C@@H]1c2ccccc2C[C@H]1O)c1ccc(Br)cc1O ZINC000248488271 455716975 /nfs/dbraw/zinc/71/69/75/455716975.db2.gz GNPIYFBNBZGGPY-LZVXQISVSA-N 1 0 348.240 3.464 10 10 EGCERO CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(OC)ccc2O)[C@H]1Oc1ccccc1 ZINC000248589389 455720779 /nfs/dbraw/zinc/72/07/79/455720779.db2.gz YXAAUUOPCRTQFR-MISYRCLQSA-N 1 0 343.423 3.115 10 10 EGCERO Cc1cc(Cl)cc(C[N@@H+]2C[C@@]3(CCOC3)OC(C)(C)C2)c1O ZINC000280325325 455948006 /nfs/dbraw/zinc/94/80/06/455948006.db2.gz QPRDZKXRHPMALT-QGZVFWFLSA-N 1 0 325.836 3.124 10 10 EGCERO Cc1cc(Br)cc(C[N@@H+](C)[C@H]2CC[C@H](O)CC2)c1O ZINC000275879035 456339734 /nfs/dbraw/zinc/33/97/34/456339734.db2.gz AVQJAUUWHWKZJZ-HDJSIYSDSA-N 1 0 328.250 3.198 10 10 EGCERO CC1CCN(c2ccc(CNC(=O)CC3CC[NH+](C)CC3)cc2)CC1 ZINC000291430915 456641259 /nfs/dbraw/zinc/64/12/59/456641259.db2.gz FDQUSOKCDNPWER-UHFFFAOYSA-N 1 0 343.515 3.271 10 10 EGCERO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)NCC[C@H](C)F)C1 ZINC000356713634 457129719 /nfs/dbraw/zinc/12/97/19/457129719.db2.gz WZOFSDMJNJADLW-HNNXBMFYSA-N 1 0 345.462 3.272 10 10 EGCERO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CC[C@H](C)C2)C1 ZINC000444134522 457858057 /nfs/dbraw/zinc/85/80/57/457858057.db2.gz AHIUYMSEUJUAMX-INIZCTEOSA-N 1 0 339.483 3.276 10 10 EGCERO C[C@@H]1C[N@H+](Cc2cc(Cl)ccc2O)C[C@]2(CCO[C@H](C)C2)O1 ZINC000366790791 457899338 /nfs/dbraw/zinc/89/93/38/457899338.db2.gz BFGNNARNFBOMLC-PBFPGSCMSA-N 1 0 325.836 3.204 10 10 EGCERO Oc1ccc(Br)cc1C[N@@H+]1CCC[C@H](c2ccncn2)C1 ZINC000371411994 457916004 /nfs/dbraw/zinc/91/60/04/457916004.db2.gz RHGOZRAMFNDLGP-LBPRGKRZSA-N 1 0 348.244 3.324 10 10 EGCERO Cn1nccc1C[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000367522476 457960664 /nfs/dbraw/zinc/96/06/64/457960664.db2.gz GDQBVCMJGQEZDL-UHFFFAOYSA-N 1 0 332.451 3.273 10 10 EGCERO COc1ccc(CN2CC[C@@H]2C[NH2+]Cc2c(O)cccc2Cl)cc1 ZINC000527775364 459732798 /nfs/dbraw/zinc/73/27/98/459732798.db2.gz SRUMHGAKCDVQGW-OAHLLOKOSA-N 1 0 346.858 3.418 10 10 EGCERO COc1ccc(CN2CC[C@@H]2C[NH2+][C@@H](C)c2cc(F)ccc2O)cc1 ZINC000527964375 459784165 /nfs/dbraw/zinc/78/41/65/459784165.db2.gz BVPMAIFGLGSBHX-WMLDXEAASA-N 1 0 344.430 3.465 10 10 EGCERO Cc1cc(Cl)cc(C[NH2+]C[C@H]2c3ccccc3C(=O)N2C)c1O ZINC000529668602 459833369 /nfs/dbraw/zinc/83/33/69/459833369.db2.gz HTVPVEBDMPBPDL-INIZCTEOSA-N 1 0 330.815 3.271 10 10 EGCERO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000730825831 575025854 /nfs/dbraw/zinc/02/58/54/575025854.db2.gz HOEBYKDPHGGPPP-IAGOWNOFSA-N 1 0 346.519 3.157 10 10 EGCERO Cc1ccc(C)n1-c1ccc(C(=O)N(C)[C@H]2C[NH+]3CCC2CC3)cc1 ZINC000732159077 575241031 /nfs/dbraw/zinc/24/10/31/575241031.db2.gz DWSHIFCSDKUEDT-FQEVSTJZSA-N 1 0 337.467 3.260 10 10 EGCERO Cc1cc(F)ccc1N1CCC[C@H]([N@H+](C)Cc2ccccc2O)C1=O ZINC000735309091 575639114 /nfs/dbraw/zinc/63/91/14/575639114.db2.gz FPLVBZJZPWYXEE-SFHVURJKSA-N 1 0 342.414 3.467 10 10 EGCERO COc1cc(C)cc(C[NH+]2CCN(c3nc(C)c(C)s3)CC2)c1O ZINC000164607534 1294350938 /nfs/dbraw/zinc/35/09/38/1294350938.db2.gz JLWFOMGVNOZJIH-UHFFFAOYSA-N 1 0 347.484 3.105 10 10 EGCERO CCOC(=O)c1csc(CC[NH2+][C@@H](CC)c2ccccc2O)n1 ZINC000191550481 1295690316 /nfs/dbraw/zinc/69/03/16/1295690316.db2.gz NXVNGTFKRHFTAI-ZDUSSCGKSA-N 1 0 334.441 3.309 10 10 EGCERO C[C@H]([NH2+]CCC[C@@H]1CCOC1=O)c1cc(Br)ccc1O ZINC000872111311 1296737653 /nfs/dbraw/zinc/73/76/53/1296737653.db2.gz CKZMRROGSIIXGC-WDEREUQCSA-N 1 0 342.233 3.149 10 10 EGCERO C[C@H]([NH2+]CCC[C@H]1CCOC1=O)c1ccc(Br)cc1O ZINC000872114494 1296739630 /nfs/dbraw/zinc/73/96/30/1296739630.db2.gz WSFVCMUWZQKQAW-QWRGUYRKSA-N 1 0 342.233 3.149 10 10 EGCERO CN(C)c1ccc(/C=C\C[NH2+]Cc2c(C(F)(F)F)cnn2C)cc1 ZINC000858210442 1328711608 /nfs/dbraw/zinc/71/16/08/1328711608.db2.gz QNSZJCYVJBMOLR-PLNGDYQASA-N 1 0 338.377 3.308 10 10 EGCERO c1cc(C2OCCO2)ccc1C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921738958 1322388388 /nfs/dbraw/zinc/38/83/88/1322388388.db2.gz JKGMTWGTSODHSA-UHFFFAOYSA-N 1 0 325.408 3.347 10 10 EGCERO c1ccc(-c2nccc(C[NH2+]Cc3ccc4c(c3)CCCO4)n2)nc1 ZINC000922333825 1322503404 /nfs/dbraw/zinc/50/34/04/1322503404.db2.gz ZUMBRYCCDWGUPG-UHFFFAOYSA-N 1 0 332.407 3.153 10 10 EGCERO C[C@H](NC(=O)NCc1c(O)cccc1F)[C@H](c1ccccc1)[NH+](C)C ZINC000922414591 1322524136 /nfs/dbraw/zinc/52/41/36/1322524136.db2.gz OTTDZOFAHUSNHD-SCLBCKFNSA-N 1 0 345.418 3.022 10 10 EGCERO CN(C)c1ccc(/C=C\C[NH2+]C[C@@H]2CC[C@H](C(F)(F)F)O2)cc1 ZINC000922454562 1322531302 /nfs/dbraw/zinc/53/13/02/1322531302.db2.gz MENRXXXEANMOCU-MYIWKSEUSA-N 1 0 328.378 3.465 10 10 EGCERO CN(C)c1ccc(/C=C\C[NH2+]Cc2cc(C(F)(F)F)nn2C)cc1 ZINC000922712473 1322599761 /nfs/dbraw/zinc/59/97/61/1322599761.db2.gz AQINHNVGTCDKKJ-PLNGDYQASA-N 1 0 338.377 3.308 10 10 EGCERO Oc1cccc(Br)c1C[NH2+]C1([C@H]2CCCCO2)CC1 ZINC000923027850 1322677850 /nfs/dbraw/zinc/67/78/50/1322677850.db2.gz JUBNFXLGTUBRQR-CQSZACIVSA-N 1 0 326.234 3.346 10 10 EGCERO C[C@H]([NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1)c1ccnnc1 ZINC000924713876 1323128466 /nfs/dbraw/zinc/12/84/66/1323128466.db2.gz GTQLXZUSRPZACF-ZNMIVQPWSA-N 1 0 344.434 3.080 10 10 EGCERO COc1ccc(N2CC[C@H](C[NH2+]C3CC4(C3)COC(C)(C)C4)C2)cc1 ZINC000926612413 1327634510 /nfs/dbraw/zinc/63/45/10/1327634510.db2.gz PVFSKPZUKGPZLC-ZGGTZUKQSA-N 1 0 344.499 3.459 10 10 EGCERO C[C@H]([NH2+]C[C@@H]1C[C@@H]2COC[C@@H]2O1)c1ccc(N2CCCCC2)cc1 ZINC000926946424 1327789087 /nfs/dbraw/zinc/78/90/87/1327789087.db2.gz ULDPGJBLBQBUTC-RKOGWWSCSA-N 1 0 330.472 3.131 10 10 EGCERO C[C@H]([NH2+]C1([C@H]2CCCCO2)CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000927159732 1327899007 /nfs/dbraw/zinc/89/90/07/1327899007.db2.gz IBIPPQKBUXAYAX-HNAYVOBHSA-N 1 0 348.462 3.415 10 10 EGCERO C[C@H](NC(=O)NC1CCC(C)([NH+]2CCC2)CC1)c1ccccc1O ZINC000927300951 1327963956 /nfs/dbraw/zinc/96/39/56/1327963956.db2.gz SIIIKJBCQJTEJD-XVTSOASTSA-N 1 0 331.460 3.159 10 10 EGCERO C[C@H]1C[C@H](N(C)Cc2c(O)cccc2Br)CC[N@@H+]1C ZINC000862248592 1329471105 /nfs/dbraw/zinc/47/11/05/1329471105.db2.gz NNSCHSCZUZXNJW-NWDGAFQWSA-N 1 0 327.266 3.069 10 10 EGCERO Cc1cc(O)c(C[NH2+]C[C@@H]2c3ccccc3C(=O)N2C)cc1Cl ZINC000862518051 1329491830 /nfs/dbraw/zinc/49/18/30/1329491830.db2.gz WWZBREDYDKKLQQ-MRXNPFEDSA-N 1 0 330.815 3.271 10 10 EGCERO Cc1cc(O)c(CN2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)c(Cl)c1 ZINC000863645727 1329570120 /nfs/dbraw/zinc/57/01/20/1329570120.db2.gz LZHOTLFEPNNHNN-CMPLNLGQSA-N 1 0 336.785 3.313 10 10 EGCERO Cc1cc(Cl)cc(CN2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)c1O ZINC000863646367 1329570200 /nfs/dbraw/zinc/57/02/00/1329570200.db2.gz RWKGDZGPWUONRF-YPMHNXCESA-N 1 0 336.785 3.313 10 10 EGCERO Cc1cc(C[NH2+][C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)on1 ZINC000865462216 1329700407 /nfs/dbraw/zinc/70/04/07/1329700407.db2.gz KYNQISJLLQLWTG-HNNXBMFYSA-N 1 0 335.835 3.096 10 10 EGCERO OC1CCN(c2ccc(C[NH2+]Cc3cnc(Cl)c(F)c3)cc2)CC1 ZINC000865631999 1329722833 /nfs/dbraw/zinc/72/28/33/1329722833.db2.gz KHJBIDYKLABNAE-UHFFFAOYSA-N 1 0 349.837 3.125 10 10 EGCERO CN(C)c1ccc(/C=C\C[NH2+]CCc2cn(C)c3ncccc23)cc1 ZINC000865811775 1329741312 /nfs/dbraw/zinc/74/13/12/1329741312.db2.gz DRLQLJCUCQSENG-XQRVVYSFSA-N 1 0 334.467 3.485 10 10 EGCERO Cc1ccc([C@@H](C)[NH2+][C@H]2C[C@H](S(=O)(=O)c3ccccc3)C2)c(O)c1 ZINC000866516256 1330121131 /nfs/dbraw/zinc/12/11/31/1330121131.db2.gz BSMGDVVLHUQOHU-BFYDXBDKSA-N 1 0 345.464 3.356 10 10 EGCERO CCN(C)c1ccc([C@H](C)[NH2+]C[C@H]2CC3(CO2)CCOCC3)cc1 ZINC000866531826 1330122641 /nfs/dbraw/zinc/12/26/41/1330122641.db2.gz HXXFCZTUTADFRU-QFBILLFUSA-N 1 0 332.488 3.379 10 10 EGCERO C[C@H](NC(=O)Nc1ccc2c(c1F)CC[NH2+]C2)c1ccccc1O ZINC000868166032 1330257924 /nfs/dbraw/zinc/25/79/24/1330257924.db2.gz AMHYUCPPHUMFEG-NSHDSACASA-N 1 0 329.375 3.060 10 10 EGCERO CCOC(=O)[C@H](CC(C)C)[N@@H+]1CCCN(c2ccc(OC)cc2)CC1 ZINC001190444745 1367267265 /nfs/dbraw/zinc/26/72/65/1367267265.db2.gz AZDICXLFINMCST-IBGZPJMESA-N 1 0 348.487 3.185 10 10 EGCERO COc1ccc(N(C)CCN(C)C[C@H]2CCCC[N@@H+]2C(C)C)cc1 ZINC001195787564 1368490201 /nfs/dbraw/zinc/49/02/01/1368490201.db2.gz ABBJXQRFBMOGKB-LJQANCHMSA-N 1 0 333.520 3.326 10 10 EGCERO CCc1cc(NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)nc(CC)n1 ZINC001187842729 1388176316 /nfs/dbraw/zinc/17/63/16/1388176316.db2.gz WBPNNUNVBMJWFX-GOSISDBHSA-N 1 0 341.503 3.382 10 10 EGCERO O=C(NCCC[NH+]1CCCCCC1)c1cc2cc(O)c(O)cc2s1 ZINC001135928759 1377266730 /nfs/dbraw/zinc/26/67/30/1377266730.db2.gz CIUFUEVOQVDULU-UHFFFAOYSA-N 1 0 348.468 3.308 10 10 EGCERO COc1ccc(C[NH2+]CCN(C)C(=O)Cc2ccc(C)s2)cc1C ZINC001267116686 1377414467 /nfs/dbraw/zinc/41/44/67/1377414467.db2.gz DZKDGZQZRZLJRD-UHFFFAOYSA-N 1 0 346.496 3.164 10 10 EGCERO Cc1cc(CC(=O)N(C)CC[N@H+](C)C2CC2)c(C)n1-c1ccccc1 ZINC001138308155 1377699320 /nfs/dbraw/zinc/69/93/20/1377699320.db2.gz ALWLYLXHZPDXRF-UHFFFAOYSA-N 1 0 339.483 3.189 10 10 EGCERO COc1ccc(C[NH2+]CCC[C@H](C)NC(=O)CC(F)(F)F)cc1C ZINC001283134135 1378741719 /nfs/dbraw/zinc/74/17/19/1378741719.db2.gz GXZUCLGPFSSRDE-ZDUSSCGKSA-N 1 0 346.393 3.331 10 10 EGCERO COC1CCN(c2ccc(C[N@@H+]3CC[C@H]4[C@@H](C3)C4(F)F)cc2)CC1 ZINC001168308317 1383869268 /nfs/dbraw/zinc/86/92/68/1383869268.db2.gz GSCZOBDMXDMZIE-ZWKOTPCHSA-N 1 0 336.426 3.389 10 10 EGCERO CCC(C)(C)[C@H](C)NC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001312999034 1384384820 /nfs/dbraw/zinc/38/48/20/1384384820.db2.gz MBJUSWFTCRHBOH-INIZCTEOSA-N 1 0 346.519 3.062 10 10 EGCERO COc1ccc(C[NH2+][C@@H](C)CNC(=O)C2(C(C)(F)F)CC2)cc1C ZINC001317266492 1385036246 /nfs/dbraw/zinc/03/62/46/1385036246.db2.gz XBXLJTRRPGHVBE-ZDUSSCGKSA-N 1 0 340.414 3.033 10 10 EGCERO CC[C@@H](CNC(=O)c1cncc(C)c1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001318513328 1385731909 /nfs/dbraw/zinc/73/19/09/1385731909.db2.gz VKQYZIKNYAMLGN-SFHVURJKSA-N 1 0 341.455 3.005 10 10 EGCERO COc1ccc(C[NH2+]C[C@@](C)(NC(=O)c2ccco2)C2CC2)cc1C ZINC001318675241 1385832250 /nfs/dbraw/zinc/83/22/50/1385832250.db2.gz KWSMAYDBXKBVFU-HXUWFJFHSA-N 1 0 342.439 3.285 10 10 EGCERO Cc1cc(NC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)cc(C)n1 ZINC001320089585 1386503326 /nfs/dbraw/zinc/50/33/26/1386503326.db2.gz KTYFMYLTVQTJKX-UHFFFAOYSA-N 1 0 338.455 3.383 10 10 EGCERO C[C@@H]1CCCN(C(=O)CC[NH2+]C/C=C\c2ccc(N(C)C)cc2)C1 ZINC001330719389 1389507847 /nfs/dbraw/zinc/50/78/47/1389507847.db2.gz BLYPESZJBDPEHB-DANOYGIBSA-N 1 0 329.488 3.004 10 10 EGCERO c1ccc(-c2nccc(C[NH2+]Cc3ccc(N4CCCC4)cc3)n2)nc1 ZINC001331933518 1389916696 /nfs/dbraw/zinc/91/66/96/1389916696.db2.gz OSZBUAOZQRUVKD-UHFFFAOYSA-N 1 0 345.450 3.429 10 10 EGCERO C[C@H]([NH2+]C[C@](C)(O)C(F)(F)C(F)(F)F)c1ccc(N(C)C)cc1 ZINC001332924042 1390217328 /nfs/dbraw/zinc/21/73/28/1390217328.db2.gz VUPYTVZUDSDTLD-GWCFXTLKSA-N 1 0 340.336 3.352 10 10 EGCERO CC/C=C(/C)C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001479282539 1392204943 /nfs/dbraw/zinc/20/49/43/1392204943.db2.gz HFOCNIQELYEOIY-MDCBMNHQSA-N 1 0 330.472 3.344 10 10 EGCERO CC(C)CC1(NC(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)CC1 ZINC001479533439 1392272505 /nfs/dbraw/zinc/27/25/05/1392272505.db2.gz HVNWVDOSEHHRGU-SFHVURJKSA-N 1 0 346.519 3.233 10 10 EGCERO CCN(C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C)C1CCCC1 ZINC001479534311 1392272527 /nfs/dbraw/zinc/27/25/27/1392272527.db2.gz MVLIZYAPRARDGL-LJQANCHMSA-N 1 0 346.519 3.329 10 10 EGCERO CC[N@H+](CCCNC(=O)c1ccc(N=NC(N)=O)cc1)CC1CCC1 ZINC001479863045 1392441653 /nfs/dbraw/zinc/44/16/53/1392441653.db2.gz ZWLWBEDGYZPBMA-UHFFFAOYSA-N 1 0 345.447 3.091 10 10 EGCERO COc1ccc(C[NH2+][C@H](C)CNC(=O)[C@@]23C[C@@H]2CCCC3)cc1C ZINC001480533631 1392782360 /nfs/dbraw/zinc/78/23/60/1392782360.db2.gz LHWBPHHLGVEILC-SYNHAJSKSA-N 1 0 330.472 3.178 10 10 EGCERO CCCC[N@@H+]1CC[C@@H](CCNC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001481461678 1394317162 /nfs/dbraw/zinc/31/71/62/1394317162.db2.gz GQTMYQYGCNZUIH-CQSZACIVSA-N 1 0 345.447 3.091 10 10 EGCERO CC[C@@H](F)C(=O)NC1CCC([NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC001690538096 1404626082 /nfs/dbraw/zinc/62/60/82/1404626082.db2.gz CUIVTNFLEIKHHY-OFLPRAFFSA-N 1 0 336.451 3.269 10 10 EGCERO COc1ccc(C[NH2+]C[C@H](NC(=O)C2CCC2)C(C)(C)C)cc1C ZINC001725731275 1426402104 /nfs/dbraw/zinc/40/21/04/1426402104.db2.gz BYRVGTWIMAJQNL-SFHVURJKSA-N 1 0 332.488 3.424 10 10 EGCERO COc1ccc(C[NH2+]C[C@H](C)NC(=O)C(C2CC2)C2CC2)cc1C ZINC001699425954 1412741051 /nfs/dbraw/zinc/74/10/51/1412741051.db2.gz XCHDMCDYZVIOIH-AWEZNQCLSA-N 1 0 330.472 3.034 10 10 EGCERO COc1ccc(C[NH2+]C[C@H](NC(=O)[C@]2(C)C=CCC2)C2CC2)cc1C ZINC001699589308 1412947824 /nfs/dbraw/zinc/94/78/24/1412947824.db2.gz PHUOVGGPNUHQFC-GHTZIAJQSA-N 1 0 342.483 3.344 10 10 EGCERO CC/C=C/CC[NH2+]C1(CNC(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC001699675173 1413068204 /nfs/dbraw/zinc/06/82/04/1413068204.db2.gz BEPIHRNTSSABOE-HPOMVFMNSA-N 1 0 343.431 3.057 10 10 EGCERO COc1ccc(C[NH2+]CC[C@H](C)NC(=O)/C=C(/C)C2CC2)cc1C ZINC001732676199 1428903556 /nfs/dbraw/zinc/90/35/56/1428903556.db2.gz GSVQTQQDZOHNHQ-HECSCLNYSA-N 1 0 330.472 3.344 10 10 EGCERO COc1ccc(C[NH2+]CCCN(C)C(=O)C[C@@H]2CC[C@H]3C[C@H]32)cc1C ZINC001733111439 1429246922 /nfs/dbraw/zinc/24/69/22/1429246922.db2.gz AVEXIVWZMPMJIO-GBESFXJTSA-N 1 0 344.499 3.378 10 10 EGCERO COc1ccc(C[NH2+][C@H](C)CNC(=O)C2CCC=CCC2)cc1C ZINC001714305107 1419084839 /nfs/dbraw/zinc/08/48/39/1419084839.db2.gz STMAXLNHJSNBRU-MRXNPFEDSA-N 1 0 330.472 3.344 10 10 EGCERO COc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)c2csnc2C)cc1C ZINC001715325953 1420033013 /nfs/dbraw/zinc/03/30/13/1420033013.db2.gz DPEPNRRQWIUZRT-ZDUSSCGKSA-N 1 0 347.484 3.019 10 10 EGCERO COc1ccc(C[NH2+]C/C=C\CNC(=O)[C@@H]2CC[C@H](C)C2)cc1C ZINC001715876256 1420379831 /nfs/dbraw/zinc/37/98/31/1420379831.db2.gz IGYVGYGCVVVJRO-UGZKAYFTSA-N 1 0 330.472 3.202 10 10 EGCERO COc1ccc(C[NH2+]C/C=C\CNC(=O)Cc2ccsc2)cc1C ZINC001716265620 1420588372 /nfs/dbraw/zinc/58/83/72/1420588372.db2.gz PEOJVQOOBXVRSM-ARJAWSKDSA-N 1 0 344.480 3.070 10 10 EGCERO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)c2cccc(C)c2)cc1C ZINC001716386923 1420627845 /nfs/dbraw/zinc/62/78/45/1420627845.db2.gz FGIDLEHQJGOUMH-MRXNPFEDSA-N 1 0 326.440 3.220 10 10 EGCERO COc1ccc(C[NH2+]CC[C@H]2CCN(C(=O)C(C)(C)F)C2)cc1C ZINC001717069648 1421098657 /nfs/dbraw/zinc/09/86/57/1421098657.db2.gz ZLCXUKMGIRGQPH-HNNXBMFYSA-N 1 0 336.451 3.080 10 10 EGCERO COc1ccc(C[NH2+]CC2CC(NC(=O)CC(C)(C)C)C2)cc1C ZINC001717380249 1421324168 /nfs/dbraw/zinc/32/41/68/1421324168.db2.gz PJQBVUDIQNFDQK-UHFFFAOYSA-N 1 0 332.488 3.424 10 10 EGCERO COc1ccc(C[NH2+]CCC[C@H](C)NC(=O)c2cc(F)c[nH]2)cc1C ZINC001717679143 1421562949 /nfs/dbraw/zinc/56/29/49/1421562949.db2.gz UKALNBQOINSIOO-AWEZNQCLSA-N 1 0 347.434 3.159 10 10 EGCERO CCC[NH+]1CCC(C)(CNC(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC001733453855 1429668485 /nfs/dbraw/zinc/66/84/85/1429668485.db2.gz XNIHWUGPRFGEJJ-UHFFFAOYSA-N 1 0 345.447 3.091 10 10 EGCERO C/C=C(\C)C(=O)NC1CCC([NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC001731568441 1427608259 /nfs/dbraw/zinc/60/82/59/1427608259.db2.gz OAMRKZFSXVZBDU-LHHJGKSTSA-N 1 0 330.472 3.487 10 10 EGCERO COc1ccc(C[NH2+]CCC[C@@H](C)NC(=O)c2cscn2)cc1C ZINC001734227304 1437949719 /nfs/dbraw/zinc/94/97/19/1437949719.db2.gz AEMYWHUTAKGQFV-CQSZACIVSA-N 1 0 347.484 3.148 10 10 EGCERO CCC(CC)C(=O)NCC1CC([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001750976458 1440120339 /nfs/dbraw/zinc/12/03/39/1440120339.db2.gz NYHOHHVORYZQOO-UHFFFAOYSA-N 1 0 332.488 3.424 10 10 EGCERO C[C@@H]([NH3+])c1ccc(N(C)C[C@H]2CCCCO2)c(Br)c1 ZINC000103955360 219332369 /nfs/dbraw/zinc/33/23/69/219332369.db2.gz IHDDOPAAQCLQRN-DGCLKSJQSA-N 1 0 327.266 3.474 10 10 EGCERO O=C(c1ccn2c[nH+]cc2c1)N(Cc1ccco1)Cc1ccccc1O ZINC000095434094 218377006 /nfs/dbraw/zinc/37/70/06/218377006.db2.gz XWTNSXQQQRPDDB-UHFFFAOYSA-N 1 0 347.374 3.476 10 10 EGCERO CCOc1cc(C[NH2+]Cc2cccc(OC)c2O)c(F)cc1OC ZINC000529568824 313358396 /nfs/dbraw/zinc/35/83/96/313358396.db2.gz XDMHMKJUXBNJDY-UHFFFAOYSA-N 1 0 335.375 3.237 10 10 EGCERO CCOCc1cc(C[NH2+][C@H](CCO)c2ccccc2)ccc1OC ZINC000077468097 454109474 /nfs/dbraw/zinc/10/94/74/454109474.db2.gz GRMXIRNGMQXMNJ-LJQANCHMSA-N 1 0 329.440 3.445 10 10 EGCERO CCOC(=O)c1csc(CC[NH2+][C@@H](C)c2cc(F)ccc2O)n1 ZINC000191555112 455496164 /nfs/dbraw/zinc/49/61/64/455496164.db2.gz LQEFJCVDOIKUOD-JTQLQIEISA-N 1 0 338.404 3.058 10 10 EGCERO CCOC(=O)c1csc(CC[NH2+][C@H](C)c2ccc(C)cc2O)n1 ZINC000191553204 455496249 /nfs/dbraw/zinc/49/62/49/455496249.db2.gz BMMUSBQKJGWZHO-GFCCVEGCSA-N 1 0 334.441 3.227 10 10 EGCERO c1ncn([C@@H]2CCC[N@@H+](Cc3ccc(N4CCCCC4)cc3)C2)n1 ZINC000179464661 455050142 /nfs/dbraw/zinc/05/01/42/455050142.db2.gz RZKSFQDLDKAWII-LJQANCHMSA-N 1 0 325.460 3.106 10 10 EGCERO O=C(NC1CC[NH+](Cc2cc(F)ccc2O)CC1)C1CCCCC1 ZINC000180009245 455115731 /nfs/dbraw/zinc/11/57/31/455115731.db2.gz CYEHFNVXEQXADW-UHFFFAOYSA-N 1 0 334.435 3.192 10 10 EGCERO Cc1nc(C)n(C[C@H]2CCC[N@H+](Cc3cc(Cl)cc(C)c3O)C2)n1 ZINC000180121536 455135073 /nfs/dbraw/zinc/13/50/73/455135073.db2.gz SVYLMSGBPUTADX-HNNXBMFYSA-N 1 0 348.878 3.475 10 10 EGCERO COc1cc(O)c(C[N@@H+]2CCCC[C@H]2c2cccn2C)cc1OC ZINC000180638293 455214941 /nfs/dbraw/zinc/21/49/41/455214941.db2.gz VNAHXJKVIAYEKQ-INIZCTEOSA-N 1 0 330.428 3.475 10 10 EGCERO C[C@@H]([NH2+]CCCc1ccccn1)c1ccc(N2CCOCC2)c(F)c1 ZINC000181497405 455344747 /nfs/dbraw/zinc/34/47/47/455344747.db2.gz NHEWKMTYXNATPI-MRXNPFEDSA-N 1 0 343.446 3.341 10 10 EGCERO CCOc1ccc(O)c(C[N@@H+]2CCC[C@H]2C[C@@H](O)c2ccco2)c1 ZINC000245699582 455358953 /nfs/dbraw/zinc/35/89/53/455358953.db2.gz BITJDOCURUIKOG-MAUKXSAKSA-N 1 0 331.412 3.472 10 10 EGCERO CO[C@@H]1CC[C@@H]2OCC[N@H+](Cc3c(O)ccc4ccccc43)[C@H]2C1 ZINC000246450208 455492113 /nfs/dbraw/zinc/49/21/13/455492113.db2.gz IXAXDSVPEJAQSJ-BPAFIMBUSA-N 1 0 327.424 3.314 10 10 EGCERO Cc1cc(C[C@@H](C)[NH2+][C@@H](C)c2ccc(Br)cc2O)[nH]n1 ZINC000186131486 455699528 /nfs/dbraw/zinc/69/95/28/455699528.db2.gz UXDZAQXTJKFVTC-KOLCDFICSA-N 1 0 338.249 3.468 10 10 EGCERO CC[C@H]([NH2+]C[C@H]1C[C@@H](O)CN1Cc1ccccc1)c1ccccc1O ZINC000248544545 455719319 /nfs/dbraw/zinc/71/93/19/455719319.db2.gz DNXXRWPHJRBGTL-GGPKGHCWSA-N 1 0 340.467 3.068 10 10 EGCERO C[C@H]([NH2+][C@@H]1C[C@H]2OCCC[C@@H]12)c1cc(Br)ccc1O ZINC000251521965 455791463 /nfs/dbraw/zinc/79/14/63/455791463.db2.gz CTLIXVNQHIQNRT-SQWGHXPGSA-N 1 0 326.234 3.373 10 10 EGCERO C[C@H]([NH2+][C@@H]1C[C@@H]2OCCC[C@H]12)c1ccc(Br)cc1O ZINC000251854994 455798073 /nfs/dbraw/zinc/79/80/73/455798073.db2.gz NUTVJSMJNMXEHY-FWHFQCOYSA-N 1 0 326.234 3.373 10 10 EGCERO CCC[N@H+](Cc1cccc(S(C)(=O)=O)c1)Cc1ccccc1O ZINC000294975101 455834750 /nfs/dbraw/zinc/83/47/50/455834750.db2.gz XCAJCARJTUVULE-UHFFFAOYSA-N 1 0 333.453 3.208 10 10 EGCERO COc1cc(OC)c(C[C@H](C)[NH2+]Cc2ccccc2O)c(OC)c1 ZINC000295113289 455838384 /nfs/dbraw/zinc/83/83/84/455838384.db2.gz WIUVSQONHSJONS-ZDUSSCGKSA-N 1 0 331.412 3.139 10 10 EGCERO OC[C@@H]([NH2+][C@@H]1CCc2cccc(O)c21)c1cccc(Br)c1 ZINC000296234213 455887655 /nfs/dbraw/zinc/88/76/55/455887655.db2.gz APDUOQYHHDZLMO-HUUCEWRRSA-N 1 0 348.240 3.465 10 10 EGCERO Cc1cc(Br)cc(C[NH2+][C@@H]2C[C@H]3OCCC[C@H]23)c1O ZINC000188569318 456087253 /nfs/dbraw/zinc/08/72/53/456087253.db2.gz WSPKQSFBGBJWTA-MGPQQGTHSA-N 1 0 326.234 3.120 10 10 EGCERO Oc1ccc(Br)cc1C[NH+]1CCC(c2ncc[nH]2)CC1 ZINC000271195005 456166349 /nfs/dbraw/zinc/16/63/49/456166349.db2.gz NXYKJLDOAKFUHV-UHFFFAOYSA-N 1 0 336.233 3.257 10 10 EGCERO COc1cc(Cl)cc(C[NH2+][C@@H]2CCCc3[nH]c(=O)ccc32)c1O ZINC000289953561 456194720 /nfs/dbraw/zinc/19/47/20/456194720.db2.gz YAKKUSRRTQKRQT-CYBMUJFWSA-N 1 0 334.803 3.322 10 10 EGCERO C[C@@H]([NH2+][C@@H]1CCN(Cc2ccc(F)cc2)C1=O)c1cc(F)ccc1O ZINC000189044604 456209172 /nfs/dbraw/zinc/20/91/72/456209172.db2.gz OVDPUHCWAKIUGI-SJKOYZFVSA-N 1 0 346.377 3.122 10 10 EGCERO Cc1cc(Br)cc([C@H](C)[NH2+]C[C@H](O)C(F)(F)F)c1O ZINC000275320151 456272741 /nfs/dbraw/zinc/27/27/41/456272741.db2.gz KUVUTAGUKAUCKK-XVKPBYJWSA-N 1 0 342.155 3.037 10 10 EGCERO Cc1cccc(C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2C)c1O ZINC000277368895 456797296 /nfs/dbraw/zinc/79/72/96/456797296.db2.gz FPQQKGMTUJXRBU-GDBMZVCRSA-N 1 0 334.460 3.436 10 10 EGCERO Cc1noc(C)c1CO[C@H]1CC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000370740305 457710227 /nfs/dbraw/zinc/71/02/27/457710227.db2.gz RXDRPAVTCXQOQI-HNNXBMFYSA-N 1 0 336.819 3.442 10 10 EGCERO C[C@@H]1C[C@]2(CCO1)CN(Cc1c([O-])ccc(Cl)c1F)C[C@H](C)O2 ZINC000366808219 457901128 /nfs/dbraw/zinc/90/11/28/457901128.db2.gz IPXYHXSOCFMIOQ-BWACUDIHSA-N 1 0 343.826 3.343 10 10 EGCERO CCOc1ccc(O)c(C[NH2+]C[C@@H](OC)c2cccc(OC)c2)c1 ZINC000527734430 459718550 /nfs/dbraw/zinc/71/85/50/459718550.db2.gz HGHJLWDVCYUVCL-LJQANCHMSA-N 1 0 331.412 3.277 10 10 EGCERO COc1cc(Br)cc(C[N@@H+]2C[C@@H]3CCC[C@@H]3C2)c1O ZINC000093442998 1292921304 /nfs/dbraw/zinc/92/13/04/1292921304.db2.gz GPVBUGTXOBMUPH-PHIMTYICSA-N 1 0 326.234 3.395 10 10 EGCERO COc1ccc(CN2CCC[C@H]2C(=O)OCc2ccccc2)c(O)c1 ZINC000126426971 1293534933 /nfs/dbraw/zinc/53/49/33/1293534933.db2.gz PXTFXCYLXLVSHS-SFHVURJKSA-N 1 0 341.407 3.109 10 10 EGCERO O=C(C1CC[NH+](Cc2cc3c(cc2O)CCCC3)CC1)N1CCCC1 ZINC000179434914 1294793935 /nfs/dbraw/zinc/79/39/35/1294793935.db2.gz CRKATPNFBZJYOW-UHFFFAOYSA-N 1 0 342.483 3.105 10 10 EGCERO COc1ccc(N2CC[C@@H]([NH2+][C@@H]3CCOC4(CCCC4)C3)C2)cc1 ZINC000872084925 1296724993 /nfs/dbraw/zinc/72/49/93/1296724993.db2.gz LRHLKDWAUULQQU-IAGOWNOFSA-N 1 0 330.472 3.355 10 10 EGCERO COc1ccc(N2CC[C@H]([NH2+][C@@H](C)c3cc(O)ccc3F)C2)cc1 ZINC000872085065 1296725790 /nfs/dbraw/zinc/72/57/90/1296725790.db2.gz NCRQJYLBHXTSDG-KBPBESRZSA-N 1 0 330.403 3.469 10 10 EGCERO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(O)cc2O)CCN1Cc1ccccc1 ZINC000379633983 1297534197 /nfs/dbraw/zinc/53/41/97/1297534197.db2.gz UXHRFTCOQXELOA-QAPCUYQASA-N 1 0 326.440 3.241 10 10 EGCERO CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[NH2+][C@@H](C)c2ccccc2O)c1C ZINC000879651477 1300652057 /nfs/dbraw/zinc/65/20/57/1300652057.db2.gz XMJLZXZOCHNQED-AAEUAGOBSA-N 1 0 328.412 3.462 10 10 EGCERO Cc1cc(O)c(C[NH2+]CC[C@H]2CCC3(CCOCC3)CO2)cc1C ZINC000886300614 1303427235 /nfs/dbraw/zinc/42/72/35/1303427235.db2.gz LZFDTCLRFNFVMP-GOSISDBHSA-N 1 0 333.472 3.465 10 10 EGCERO C[C@]1(C[NH2+]Cc2ccc(N3CCOCC3)cc2)CCOC2(CCC2)C1 ZINC000886344737 1303444001 /nfs/dbraw/zinc/44/40/01/1303444001.db2.gz KRNHEZGTSRRBIC-FQEVSTJZSA-N 1 0 344.499 3.352 10 10 EGCERO COC(=O)c1c(C[N@H+](C)[C@H]2CCSC2)c2cc(F)ccc2n1C ZINC000893929034 1306133640 /nfs/dbraw/zinc/13/36/40/1306133640.db2.gz KNDIRZQSLBBTPC-LBPRGKRZSA-N 1 0 336.432 3.041 10 10 EGCERO Cc1cc(O)c(C[NH2+]C[C@@H]2CCC3(CCOCC3)CO2)cc1Cl ZINC000895536583 1309388752 /nfs/dbraw/zinc/38/87/52/1309388752.db2.gz LQUKVUZQPANVDX-HNNXBMFYSA-N 1 0 339.863 3.419 10 10 EGCERO COc1cc(C)cc(C[NH2+]CC[C@@H]2CCC3(CCOCC3)CO2)c1O ZINC000895799494 1309525731 /nfs/dbraw/zinc/52/57/31/1309525731.db2.gz MHVIHPBHWIDXFG-KRWDZBQOSA-N 1 0 349.471 3.165 10 10 EGCERO C[C@H](CCNC(=O)c1cc2cc(O)c(O)cc2s1)[NH+]1CCCCC1 ZINC000897376249 1310313322 /nfs/dbraw/zinc/31/33/22/1310313322.db2.gz RNYJOWHFSUMIGA-GFCCVEGCSA-N 1 0 348.468 3.307 10 10 EGCERO Cc1cc(O)c(C[NH2+]CC2CCN(CC(F)F)CC2)c(Cl)c1 ZINC000857784485 1328596954 /nfs/dbraw/zinc/59/69/54/1328596954.db2.gz IOUKYJCMMORSIP-UHFFFAOYSA-N 1 0 332.822 3.421 10 10 EGCERO COc1cnccc1[C@@H](C)[NH2+]Cc1c(O)cccc1Br ZINC000858158515 1328698857 /nfs/dbraw/zinc/69/88/57/1328698857.db2.gz JVHHCWRQHLNLAB-SNVBAGLBSA-N 1 0 337.217 3.409 10 10 EGCERO Oc1cccc(Br)c1C[NH2+]C[C@]12OCCC[C@H]1C2(F)F ZINC000858193306 1328707990 /nfs/dbraw/zinc/70/79/90/1328707990.db2.gz BTKHYIOURWYGHA-OLZOCXBDSA-N 1 0 348.187 3.059 10 10 EGCERO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CO[C@H](C3CC3)C2)ccc1N1CCCCC1 ZINC000858296453 1328732092 /nfs/dbraw/zinc/73/20/92/1328732092.db2.gz TVSLUPBEFUPNMX-LPHOPBHVSA-N 1 0 345.443 3.242 10 10 EGCERO COc1ncc(Br)cc1C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000858494511 1328779202 /nfs/dbraw/zinc/77/92/02/1328779202.db2.gz KHSIWLZARGHJGA-ZDUSSCGKSA-N 1 0 349.228 3.335 10 10 EGCERO c1cncc(C2=CCC[N@@H+](Cc3ccc(N4CCOCC4)cc3)C2)c1 ZINC000930486523 1328872371 /nfs/dbraw/zinc/87/23/71/1328872371.db2.gz PYJAURZJOUDDNG-UHFFFAOYSA-N 1 0 335.451 3.208 10 10 EGCERO CC[N@@H+](Cc1c(O)c(C(=O)OC)cc2ccccc21)C[C@H]1CCCO1 ZINC000919948705 1322120806 /nfs/dbraw/zinc/12/08/06/1322120806.db2.gz XTCMQABKWVEPCU-OAHLLOKOSA-N 1 0 343.423 3.333 10 10 EGCERO C[C@@H]([NH2+]Cc1ccnn1C1CCC1)c1ccc(N2CCOCC2)cc1 ZINC000921590028 1322359356 /nfs/dbraw/zinc/35/93/56/1322359356.db2.gz AJMICDYNTODEBR-MRXNPFEDSA-N 1 0 340.471 3.296 10 10 EGCERO Cn1cc(C[C@H]2CCC[C@H]2[NH2+]Cc2ccc3c(c2)CCCO3)cn1 ZINC000922254256 1322488416 /nfs/dbraw/zinc/48/84/16/1322488416.db2.gz MZZHENWJZXYOHH-IEBWSBKVSA-N 1 0 325.456 3.246 10 10 EGCERO C[C@@H]([NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1)c1ccnnc1 ZINC000924713871 1323128105 /nfs/dbraw/zinc/12/81/05/1323128105.db2.gz GTQLXZUSRPZACF-QLFBSQMISA-N 1 0 344.434 3.080 10 10 EGCERO COc1ccc(N2CC[C@@H]([NH2+][C@H](C3CC3)C3CCOCC3)C2)cc1 ZINC000926680391 1327662712 /nfs/dbraw/zinc/66/27/12/1327662712.db2.gz MLUCWJMSAKUXGQ-YLJYHZDGSA-N 1 0 330.472 3.069 10 10 EGCERO CC[C@H]([NH2+]C[C@@H]1C[C@@H]2COC[C@@H]2O1)c1ccc(C(F)(F)F)cc1O ZINC000926944522 1327788071 /nfs/dbraw/zinc/78/80/71/1327788071.db2.gz PZQXBTAOBMHHNK-TYRIBLQHSA-N 1 0 345.361 3.256 10 10 EGCERO C[C@@H]([NH2+]C[C@H]1CCC2(CCOCC2)O1)c1ccc(Cl)cc1O ZINC000927012742 1327820734 /nfs/dbraw/zinc/82/07/34/1327820734.db2.gz BETGIUKAHXHPSB-TZMCWYRMSA-N 1 0 325.836 3.424 10 10 EGCERO C[C@@H]([NH2+]C[C@@H]1CCC2(CCOCC2)O1)c1cc(Cl)ccc1O ZINC000927017997 1327822823 /nfs/dbraw/zinc/82/28/23/1327822823.db2.gz XJVCAYMZQMHXQA-OCCSQVGLSA-N 1 0 325.836 3.424 10 10 EGCERO Oc1cccc(Br)c1C[N@@H+]1CCC[C@@H](OC(F)F)C1 ZINC000862309507 1329475229 /nfs/dbraw/zinc/47/52/29/1329475229.db2.gz RIJNXLQZOONXIH-SECBINFHSA-N 1 0 336.176 3.358 10 10 EGCERO CN(C)c1ccc(/C=C/C[N@@H+]2CCc3nc(C4CC4)ncc3C2)cc1 ZINC000862507372 1329491958 /nfs/dbraw/zinc/49/19/58/1329491958.db2.gz BRCKZAVUKZTJQH-ONEGZZNKSA-N 1 0 334.467 3.492 10 10 EGCERO CCOc1cc(F)cc(C[NH2+]Cc2ccc(N3CCOCC3)cc2)c1 ZINC000865427742 1329696099 /nfs/dbraw/zinc/69/60/99/1329696099.db2.gz IWUVABJRTVZHNK-UHFFFAOYSA-N 1 0 344.430 3.351 10 10 EGCERO COc1ccc(N2CCC([NH2+]Cc3cncc(OC)c3C)CC2)cc1 ZINC000865444235 1329698421 /nfs/dbraw/zinc/69/84/21/1329698421.db2.gz LNDQXHXCQKGHCP-UHFFFAOYSA-N 1 0 341.455 3.166 10 10 EGCERO FC(F)(F)CCSCC[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000865788975 1329738716 /nfs/dbraw/zinc/73/87/16/1329738716.db2.gz LEJDUUKKCQIFDX-UHFFFAOYSA-N 1 0 348.434 3.298 10 10 EGCERO CCN(C)c1ccc([C@H](C)[NH2+]C[C@@H]2CC3(CO2)CCOCC3)cc1 ZINC000866531825 1330122636 /nfs/dbraw/zinc/12/26/36/1330122636.db2.gz HXXFCZTUTADFRU-LPHOPBHVSA-N 1 0 332.488 3.379 10 10 EGCERO C[C@@H](NC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1)c1ccccc1O ZINC000868449146 1330281794 /nfs/dbraw/zinc/28/17/94/1330281794.db2.gz UGGLLCPNMPFACG-DKSSEZFCSA-N 1 0 339.439 3.198 10 10 EGCERO COc1ccc(C[NH2+]C[C@H](NC(=O)CC2CCC2)C2CC2)cc1C ZINC001322977069 1387258908 /nfs/dbraw/zinc/25/89/08/1387258908.db2.gz UEZZNUMRRINDPI-SFHVURJKSA-N 1 0 330.472 3.178 10 10 EGCERO CN(C)c1ccc(C[NH2+][C@@H]2CCN(C)[C@H]2c2ccc(F)cc2)cc1 ZINC001324555716 1387670728 /nfs/dbraw/zinc/67/07/28/1387670728.db2.gz HWJKXEIBHVXXMA-UXHICEINSA-N 1 0 327.447 3.427 10 10 EGCERO COc1ccc(N2CC[NH+](C[C@H]3CCC4(CCC4)CO3)CC2)cc1F ZINC001192108554 1367689496 /nfs/dbraw/zinc/68/94/96/1367689496.db2.gz XQEOHNSLITYAFG-QGZVFWFLSA-N 1 0 348.462 3.306 10 10 EGCERO OCC1CCN(c2ccc(C[NH2+]CCc3ccc(F)cc3)cc2)CC1 ZINC001116509796 1370927420 /nfs/dbraw/zinc/92/74/20/1370927420.db2.gz CDOSUWPDHUWMML-UHFFFAOYSA-N 1 0 342.458 3.367 10 10 EGCERO C[NH+]1CCN(c2ccc(CNC(=O)C3CCCCCC3)cc2)CC1 ZINC001288335031 1381782279 /nfs/dbraw/zinc/78/22/79/1381782279.db2.gz WZEGVJWSBXQWBE-UHFFFAOYSA-N 1 0 329.488 3.025 10 10 EGCERO CC[NH+](CC)CCNC(=O)c1cc(C)ccc1-n1c(C)ccc1C ZINC001290114796 1382061539 /nfs/dbraw/zinc/06/15/39/1382061539.db2.gz BVSNOPBAUPSUQG-UHFFFAOYSA-N 1 0 327.472 3.474 10 10 EGCERO Cn1c2cc(C[NH2+]Cc3ccc(N4CCCC4)cc3)ccc2oc1=O ZINC001329065960 1388950957 /nfs/dbraw/zinc/95/09/57/1388950957.db2.gz CBPPHSNWVPETFS-UHFFFAOYSA-N 1 0 337.423 3.022 10 10 EGCERO COc1ccc(C[NH2+][C@H](C)CCNC(=O)[C@H](C)C2CCC2)cc1C ZINC001317399198 1385115006 /nfs/dbraw/zinc/11/50/06/1385115006.db2.gz UIQQXYSYOSEZDL-HZPDHXFCSA-N 1 0 332.488 3.424 10 10 EGCERO CC[C@H](CNC(=O)[C@@H](C)C(C)(F)F)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001318575271 1385765822 /nfs/dbraw/zinc/76/58/22/1385765822.db2.gz IHJBJQLGYUGFAM-UKRRQHHQSA-N 1 0 342.430 3.279 10 10 EGCERO C/C=C(/C)C(=O)N[C@@](C)(C[NH2+]Cc1ccc(OC)c(C)c1)C1CC1 ZINC001698642342 1406290314 /nfs/dbraw/zinc/29/03/14/1406290314.db2.gz MGWJVGCELZDJLF-ROUPCDGVSA-N 1 0 330.472 3.344 10 10 EGCERO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)c2ccoc2C2CC2)cc1C ZINC001321627403 1386943730 /nfs/dbraw/zinc/94/37/30/1386943730.db2.gz HKMPTUOFFCFXKW-CQSZACIVSA-N 1 0 342.439 3.382 10 10 EGCERO Cc1nn(C)c(C)c1CCC[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC001348089208 1391171891 /nfs/dbraw/zinc/17/18/91/1391171891.db2.gz GGCYWOUNYVOIKY-UHFFFAOYSA-N 1 0 336.430 3.104 10 10 EGCERO COC(=O)c1c(C[NH2+]C[C@H]2CCO[C@H](C)C2)c2cc(F)ccc2n1C ZINC001350316750 1391446310 /nfs/dbraw/zinc/44/63/10/1391446310.db2.gz OZVXNFLKQHDXBO-OLZOCXBDSA-N 1 0 348.418 3.009 10 10 EGCERO CC/C(C)=C/C(=O)NC[C@@H]([NH2+]Cc1ccc(OC)c(C)c1)C1CC1 ZINC001480018418 1392537194 /nfs/dbraw/zinc/53/71/94/1392537194.db2.gz RZKMFDDHBGRGKR-PMXLPMHFSA-N 1 0 330.472 3.344 10 10 EGCERO COc1ccc(C[NH2+][C@@H](CNC(=O)c2ccoc2C)C(C)C)cc1C ZINC001482515275 1395066109 /nfs/dbraw/zinc/06/61/09/1395066109.db2.gz QCPZVRJUUMQQHB-SFHVURJKSA-N 1 0 344.455 3.449 10 10 EGCERO CC(C)CCC[N@@H+]1CC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001494737578 1396491213 /nfs/dbraw/zinc/49/12/13/1396491213.db2.gz JMTMWDUHKZXXAZ-INIZCTEOSA-N 1 0 345.447 3.089 10 10 EGCERO COc1ccc(C[NH2+][C@@H](C)CNC(=O)c2ccc(C)cc2)cc1C ZINC001690642004 1404674552 /nfs/dbraw/zinc/67/45/52/1404674552.db2.gz WSBIUHVXHGKPQB-INIZCTEOSA-N 1 0 326.440 3.220 10 10 EGCERO COc1ccc(C[NH2+]CCN(C)C(=O)c2ccc(F)c(C)c2)cc1C ZINC001691456641 1405279570 /nfs/dbraw/zinc/27/95/70/1405279570.db2.gz COOFFSWEFWVZKP-UHFFFAOYSA-N 1 0 344.430 3.313 10 10 EGCERO CC[C@@H](CNC(=O)C1CC(C)(C)C1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001698596952 1406221534 /nfs/dbraw/zinc/22/15/34/1406221534.db2.gz FEWHOCGQZQGKKN-KRWDZBQOSA-N 1 0 332.488 3.424 10 10 EGCERO COc1ccc(C[NH2+]CC[C@H]2CCCN(C(=O)C3CC3)C2)cc1C ZINC001732261189 1428501482 /nfs/dbraw/zinc/50/14/82/1428501482.db2.gz IGOXCNMLLNGUQE-MRXNPFEDSA-N 1 0 330.472 3.132 10 10 EGCERO COc1ccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)CCC(F)F)cc1C ZINC001700407688 1413945400 /nfs/dbraw/zinc/94/54/00/1413945400.db2.gz GBFKCTVEUBJGRB-CHWSQXEVSA-N 1 0 328.403 3.032 10 10 EGCERO COc1ccc(C[NH2+]C2CCC(NC(=O)C=C(C)C)CC2)cc1C ZINC001714181527 1418989994 /nfs/dbraw/zinc/98/99/94/1418989994.db2.gz ILXKOSZWTTUKEE-UHFFFAOYSA-N 1 0 330.472 3.487 10 10 EGCERO COc1ccc(C[NH2+]CCN(C)C(=O)c2cc(C)oc2C)cc1C ZINC001714681823 1419471306 /nfs/dbraw/zinc/47/13/06/1419471306.db2.gz HPGYFVLTRIKQIU-UHFFFAOYSA-N 1 0 330.428 3.075 10 10 EGCERO COc1ccc(C[NH2+]C2(CNC(=O)c3cccc(C)c3)CC2)cc1C ZINC001733235728 1429375148 /nfs/dbraw/zinc/37/51/48/1429375148.db2.gz SGGHMAMDNWHNDF-UHFFFAOYSA-N 1 0 338.451 3.364 10 10 EGCERO COc1ccc(C[NH2+]C[C@@H](C)CNC(=O)c2ccsc2)cc1C ZINC001715221397 1419955257 /nfs/dbraw/zinc/95/52/57/1419955257.db2.gz LIIVXUDXAZVYRT-CYBMUJFWSA-N 1 0 332.469 3.221 10 10 EGCERO COc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)c2csnc2C)cc1C ZINC001715325947 1420032874 /nfs/dbraw/zinc/03/28/74/1420032874.db2.gz DPEPNRRQWIUZRT-CYBMUJFWSA-N 1 0 347.484 3.019 10 10 EGCERO COc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)c2coc(C)c2)cc1C ZINC001715331186 1420037197 /nfs/dbraw/zinc/03/71/97/1420037197.db2.gz NPRVQZHHSUBGTC-AWEZNQCLSA-N 1 0 330.428 3.155 10 10 EGCERO COc1ccc(C[NH2+]CC[C@H](C)NC(=O)c2cc(C)co2)cc1C ZINC001715671719 1420288289 /nfs/dbraw/zinc/28/82/89/1420288289.db2.gz IIUNMSQLJNEOAF-HNNXBMFYSA-N 1 0 330.428 3.203 10 10 EGCERO COc1ccc(C[NH2+]CC[C@H](C)NC(=O)c2cc(C)[nH]c2C)cc1C ZINC001715685789 1420294170 /nfs/dbraw/zinc/29/41/70/1420294170.db2.gz LWTCQWVCEDUOBG-AWEZNQCLSA-N 1 0 343.471 3.247 10 10 EGCERO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)[C@@H](C)c2ccccc2)cc1C ZINC001715956414 1420422558 /nfs/dbraw/zinc/42/25/58/1420422558.db2.gz ZXHPRSCUAJPWHM-SJORKVTESA-N 1 0 340.467 3.402 10 10 EGCERO COc1ccc(C[NH2+]C[C@H](C)NC(=O)c2cc(C)c(C)o2)cc1C ZINC001716434069 1420656908 /nfs/dbraw/zinc/65/69/08/1420656908.db2.gz KJWMYJJFYXYPLM-AWEZNQCLSA-N 1 0 330.428 3.122 10 10 EGCERO COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)[C@H](C)c2ccco2)cc1C ZINC001717740852 1421604273 /nfs/dbraw/zinc/60/42/73/1421604273.db2.gz HVYBARGKROKBJH-JKSUJKDBSA-N 1 0 344.455 3.337 10 10 EGCERO COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)c2ccccc2)cc1C ZINC001725471146 1426142214 /nfs/dbraw/zinc/14/22/14/1426142214.db2.gz HKQCKRZJUHDWSU-MRXNPFEDSA-N 1 0 326.440 3.254 10 10 EGCERO COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)c2ccsc2)cc1C ZINC001725481494 1426157638 /nfs/dbraw/zinc/15/76/38/1426157638.db2.gz QWOCTZPIEZUZCK-AWEZNQCLSA-N 1 0 332.469 3.315 10 10 EGCERO COc1ccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)c2scnc2C)cc1C ZINC001733962293 1437767511 /nfs/dbraw/zinc/76/75/11/1437767511.db2.gz JFTODLXVWGGRQN-QWHCGFSZSA-N 1 0 347.484 3.065 10 10 EGCERO C[N@@H+](Cc1ccc(N2CCCCC2)cc1)C[C@H](O)COC(C)(C)C ZINC000053420223 453877569 /nfs/dbraw/zinc/87/75/69/453877569.db2.gz HCLDMCLKXIDQQN-IBGZPJMESA-N 1 0 334.504 3.285 10 10 EGCERO Fc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000071837145 454228337 /nfs/dbraw/zinc/22/83/37/454228337.db2.gz VTLUATZGPHKRSD-FQEVSTJZSA-N 1 0 326.415 3.439 10 10 EGCERO CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(N3CCCCCC3)cc2)[C@@H](C)C1 ZINC000089937498 454240567 /nfs/dbraw/zinc/24/05/67/454240567.db2.gz WBEGZDSPKJZTFM-LAUBAEHRSA-N 1 0 343.515 3.414 10 10 EGCERO O=C1C[C@@H](c2ccccc2)[N@H+](Cc2cc(Cl)ccc2O)CCN1 ZINC000092075721 454517554 /nfs/dbraw/zinc/51/75/54/454517554.db2.gz MYOXKTCRFBNTGN-INIZCTEOSA-N 1 0 330.815 3.109 10 10 EGCERO CCCCN(C)C(=O)C1CC[NH+](Cc2cc(OCC)ccc2O)CC1 ZINC000092145909 454528986 /nfs/dbraw/zinc/52/89/86/454528986.db2.gz CRUUZWPADREEPB-UHFFFAOYSA-N 1 0 348.487 3.261 10 10 EGCERO CCOC(=O)c1csc(CC[NH2+][C@@H](C)c2ccc(C)cc2O)n1 ZINC000191553187 455495570 /nfs/dbraw/zinc/49/55/70/455495570.db2.gz BMMUSBQKJGWZHO-LBPRGKRZSA-N 1 0 334.441 3.227 10 10 EGCERO Cc1ncsc1CN(C)C[C@H]1CC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000190469112 455325285 /nfs/dbraw/zinc/32/52/85/455325285.db2.gz XSCUARTWPFVXHJ-CQSZACIVSA-N 1 0 349.475 3.250 10 10 EGCERO Cc1ccc([C@H](C)[NH2+][C@H](Cc2ccccc2)C(=O)N(C)C)c(O)c1 ZINC000185408091 455555852 /nfs/dbraw/zinc/55/58/52/455555852.db2.gz LXBMFRMBWVNAAQ-MAUKXSAKSA-N 1 0 326.440 3.051 10 10 EGCERO C[C@@H]1COCC[C@H]1[NH2+]Cc1ccc(OCc2ccccc2)cc1O ZINC000277621883 455617309 /nfs/dbraw/zinc/61/73/09/455617309.db2.gz XEYICNNPJMSUMY-DNVCBOLYSA-N 1 0 327.424 3.486 10 10 EGCERO COc1ccc(O)c([C@@H](C)[NH2+]CC[C@@H](C)NC(=O)OC(C)(C)C)c1 ZINC000185979841 455667736 /nfs/dbraw/zinc/66/77/36/455667736.db2.gz KPCKOUMHRHVABJ-CHWSQXEVSA-N 1 0 338.448 3.355 10 10 EGCERO CCO[C@@H]1C[C@@H]([NH2+][C@H](C)c2cc(OC)ccc2O)C12CCOCC2 ZINC000248621794 455723054 /nfs/dbraw/zinc/72/30/54/455723054.db2.gz AVDNVORTVXFZPI-FSPWUOQZSA-N 1 0 335.444 3.026 10 10 EGCERO Cc1cc(N2CCC[C@H]([NH2+]Cc3cc(Cl)cc(C)c3O)C2)n(C)n1 ZINC000278750626 455846792 /nfs/dbraw/zinc/84/67/92/455846792.db2.gz SDMKJLMTKXPINA-INIZCTEOSA-N 1 0 348.878 3.155 10 10 EGCERO Cc1noc(CC[NH2+][C@H](C)c2cc(Br)cc(C)c2O)n1 ZINC000187321446 455894686 /nfs/dbraw/zinc/89/46/86/455894686.db2.gz MDPZWYDWMJUKPN-SECBINFHSA-N 1 0 340.221 3.048 10 10 EGCERO Cc1cc(Cl)cc(C[N@H+]2CCC[C@@H]2C[C@H](O)c2cnn(C)c2)c1O ZINC000378440689 457396538 /nfs/dbraw/zinc/39/65/38/457396538.db2.gz DHJMDLLYHISPTA-SJORKVTESA-N 1 0 349.862 3.176 10 10 EGCERO Cc1cc(Cl)cc(C[NH+]2CCC(OC[C@H]3CCOC3)CC2)c1O ZINC000374912266 457733894 /nfs/dbraw/zinc/73/38/94/457733894.db2.gz NWRUJBUBQDHFMD-AWEZNQCLSA-N 1 0 339.863 3.372 10 10 EGCERO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NC2CC(C)C2)C1 ZINC000444295629 457881609 /nfs/dbraw/zinc/88/16/09/457881609.db2.gz STCPGLTVPYOLOM-UHFFFAOYSA-N 1 0 339.483 3.323 10 10 EGCERO CC[C@@H]([NH2+]C[C@@H]1[C@H]2COC[C@H]21)c1cc(Br)ccc1O ZINC000367701727 457974929 /nfs/dbraw/zinc/97/49/29/457974929.db2.gz BQHIBPXDQZSYFU-YIYPIFLZSA-N 1 0 326.234 3.088 10 10 EGCERO COc1cc(Cl)cc(C[NH2+][C@@H]2CCc3cnn(C(C)C)c3C2)c1O ZINC000368978613 458068616 /nfs/dbraw/zinc/06/86/16/458068616.db2.gz SXVRMEWWLFSYCG-OAHLLOKOSA-N 1 0 349.862 3.479 10 10 EGCERO CCOC(=O)C[C@H]1C[C@@H](OC)C[N@@H+]1Cc1c(O)ccc2ccccc21 ZINC000376949358 458427010 /nfs/dbraw/zinc/42/70/10/458427010.db2.gz OCPIEXUJAFXWKH-HZPDHXFCSA-N 1 0 343.423 3.088 10 10 EGCERO Cc1ncc(C[NH2+]C2CCN(c3ccc(OC(F)F)cc3)CC2)cn1 ZINC000726608159 574563673 /nfs/dbraw/zinc/56/36/73/574563673.db2.gz PIYHNYVBGKMNJU-UHFFFAOYSA-N 1 0 348.397 3.145 10 10 EGCERO Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NCCCC[NH+](C)C ZINC000733162052 575312418 /nfs/dbraw/zinc/31/24/18/575312418.db2.gz QYVIZJFJTCNCLO-UHFFFAOYSA-N 1 0 327.472 3.474 10 10 EGCERO C[N@H+](Cc1ccc(N2CCOCC2)cc1)Cc1ccc(Cl)nc1 ZINC000073645452 1292322125 /nfs/dbraw/zinc/32/21/25/1292322125.db2.gz JDICTZGZNNKTQD-UHFFFAOYSA-N 1 0 331.847 3.204 10 10 EGCERO Cc1ccc(O)c(C[N@@H+](C)[C@H]2CCN(c3ccccc3F)C2=O)c1 ZINC000093385610 1292918647 /nfs/dbraw/zinc/91/86/47/1292918647.db2.gz OQPSVONDDFEUCR-KRWDZBQOSA-N 1 0 328.387 3.077 10 10 EGCERO Cc1[nH+]c(/C=C2/SC(N3CCCCC3)=NC2=O)c2ccccn12 ZINC000097073504 1292957500 /nfs/dbraw/zinc/95/75/00/1292957500.db2.gz NZMCIAXOPMNTMQ-RVDMUPIBSA-N 1 0 326.425 3.099 10 10 EGCERO COc1ccc(C[NH2+]C2CCN(C(=O)OC(C)(C)C)CC2)cc1C ZINC000105435455 1293034388 /nfs/dbraw/zinc/03/43/88/1293034388.db2.gz RKKFKSAHCKQWQX-UHFFFAOYSA-N 1 0 334.460 3.493 10 10 EGCERO CCOC(=O)CC[C@H]1CCC[N@H+](Cc2cc(C)cc(OC)c2O)C1 ZINC000164596373 1294351520 /nfs/dbraw/zinc/35/15/20/1294351520.db2.gz HGVIJSWKFQGIQL-OAHLLOKOSA-N 1 0 335.444 3.265 10 10 EGCERO Cc1cc(Br)cc(CN2CC[NH+](CC(C)C)CC2)c1O ZINC000167138875 1294366056 /nfs/dbraw/zinc/36/60/56/1294366056.db2.gz LTVUMGXXYUMAPB-UHFFFAOYSA-N 1 0 341.293 3.237 10 10 EGCERO Cc1cncc(/C=C\C(=O)N2C[C@@H]3CCC[N@@H+]3Cc3ccccc32)c1 ZINC000255212902 1296510170 /nfs/dbraw/zinc/51/01/70/1296510170.db2.gz XKYOLGHTAARBRA-QWUACUGRSA-N 1 0 333.435 3.414 10 10 EGCERO C[C@H]([NH2+]C[C@H]1CC(C)(C)CO1)c1ccc(N2CCOCC2)c(F)c1 ZINC000872108193 1296733399 /nfs/dbraw/zinc/73/33/99/1296733399.db2.gz XKGFDMHZMGRFNZ-GOEBONIOSA-N 1 0 336.451 3.128 10 10 EGCERO COC1CCN(c2ccc(C[NH2+][C@]34CCC[C@H]3OCC4)cc2)CC1 ZINC000872316574 1296911692 /nfs/dbraw/zinc/91/16/92/1296911692.db2.gz PWVKIXPBOHBZDG-UXHICEINSA-N 1 0 330.472 3.103 10 10 EGCERO CCOc1ccc(O)c(C[NH2+]CC[C@@H]2CCC3(CCOCC3)CO2)c1 ZINC000886300390 1303426719 /nfs/dbraw/zinc/42/67/19/1303426719.db2.gz HAWYYSSNUXIZCN-KRWDZBQOSA-N 1 0 349.471 3.246 10 10 EGCERO C[C@@H]1OC[C@]2(CC[C@H](C[NH2+]C/C=C/c3ccc(N(C)C)cc3)O2)[C@H]1C ZINC000886336338 1303439094 /nfs/dbraw/zinc/43/90/94/1303439094.db2.gz PXWZCXDFGFGXSY-QHIYNKJQSA-N 1 0 344.499 3.328 10 10 EGCERO CC1([NH+]2CCCC2)CCC([NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000886520726 1303484947 /nfs/dbraw/zinc/48/49/47/1303484947.db2.gz LICHSZAWBZIANN-UHFFFAOYSA-N 1 0 333.432 3.187 10 10 EGCERO COCc1ncc2c(n1)CC[N@@H+](Cc1ccc3ccccc3c1O)C2 ZINC000895416723 1309328029 /nfs/dbraw/zinc/32/80/29/1309328029.db2.gz APVGEJLWMKXEOH-UHFFFAOYSA-N 1 0 335.407 3.040 10 10 EGCERO O=C(c1cc2cc(O)c(O)cc2s1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000895795565 1309524691 /nfs/dbraw/zinc/52/46/91/1309524691.db2.gz ARGZCFCDTIWQIV-ZDUSSCGKSA-N 1 0 346.452 3.013 10 10 EGCERO CCOCc1cc(C[NH2+]CC2(C3(O)CCC3)CCC2)ccc1OC ZINC000895871116 1309573398 /nfs/dbraw/zinc/57/33/98/1309573398.db2.gz ZCWRMMGZMFWBCT-UHFFFAOYSA-N 1 0 333.472 3.407 10 10 EGCERO C[C@H]([NH2+][C@H]1c2ccccc2CN(C)C1=O)c1cc(Cl)ccc1O ZINC000857875384 1328611763 /nfs/dbraw/zinc/61/17/63/1328611763.db2.gz LXWADKFGYUETTG-GTNSWQLSSA-N 1 0 330.815 3.410 10 10 EGCERO Cc1ccc(O[C@H]2CC[N@@H+](Cc3ccc(N(C)C)c(F)c3)C2)nc1 ZINC000858011913 1328658357 /nfs/dbraw/zinc/65/83/57/1328658357.db2.gz UFASJBSBOOEOTC-INIZCTEOSA-N 1 0 329.419 3.248 10 10 EGCERO CCC[N@@H+](Cc1ccccc1O)C[C@@H](O)CC[C@@H](O)c1ccccc1 ZINC000929753635 1328688190 /nfs/dbraw/zinc/68/81/90/1328688190.db2.gz SYOCLHUYDZEXLI-PZJWPPBQSA-N 1 0 343.467 3.479 10 10 EGCERO Cc1nnsc1[C@@H](C)[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000930210491 1328812694 /nfs/dbraw/zinc/81/26/94/1328812694.db2.gz MVZZODFANOKZIL-QWHCGFSZSA-N 1 0 332.473 3.095 10 10 EGCERO CN(C)c1ccc(/C=C\C[NH2+]C[C@@H]2CC[C@@H](C(F)(F)F)O2)cc1 ZINC000922454560 1322530734 /nfs/dbraw/zinc/53/07/34/1322530734.db2.gz MENRXXXEANMOCU-HFZJXRFXSA-N 1 0 328.378 3.465 10 10 EGCERO c1cnc2ccc(CC[NH2+]Cc3ccc(N4CCOCC4)cc3)cc2c1 ZINC000922472330 1322536234 /nfs/dbraw/zinc/53/62/34/1322536234.db2.gz JFPFSSXUPRLPJI-UHFFFAOYSA-N 1 0 347.462 3.404 10 10 EGCERO CC1(C)O[C@@H]2C[C@@H]([NH2+]Cc3ccc(N4CCCCC4)cc3)C[C@@H]2O1 ZINC000922875966 1322638571 /nfs/dbraw/zinc/63/85/71/1322638571.db2.gz JMQPBKLUEZNDKX-LUPIEILUSA-N 1 0 330.472 3.449 10 10 EGCERO Oc1ccccc1C[N@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)C[C@@H]1CCCO1 ZINC000923299201 1322728123 /nfs/dbraw/zinc/72/81/23/1322728123.db2.gz ONYCYELQTFJWPS-QZNYNHHHSA-N 1 0 344.499 3.294 10 10 EGCERO C[C@H]([NH2+][C@@H]1CC[C@H]2COCC[C@H]2C1)c1ccc(N2CCOCC2)cc1 ZINC000924794782 1323166183 /nfs/dbraw/zinc/16/61/83/1323166183.db2.gz HQNGRDNKLGTSRU-FRYIKTPZSA-N 1 0 344.499 3.379 10 10 EGCERO COc1ccc(N2CC[C@@H](C[NH2+][C@@H](C3CC3)C3CCOCC3)C2)cc1 ZINC000926612309 1327633981 /nfs/dbraw/zinc/63/39/81/1327633981.db2.gz OKBOMMIGKXLFBL-KKSFZXQISA-N 1 0 344.499 3.316 10 10 EGCERO COc1ccc(N2CC[C@@H]([NH2+][C@@H](C)c3cc(OC)ccn3)C2)cc1 ZINC000926680235 1327663336 /nfs/dbraw/zinc/66/33/36/1327663336.db2.gz LBCZKFMDFQILGI-LSDHHAIUSA-N 1 0 327.428 3.028 10 10 EGCERO COc1ccc(N2CC[C@H]([NH2+][C@@H]3CCCC[C@@H]3CCCO)C2)cc1 ZINC000926680628 1327664210 /nfs/dbraw/zinc/66/42/10/1327664210.db2.gz QEFYEVZHMYBKMT-FUHIMQAGSA-N 1 0 332.488 3.195 10 10 EGCERO C[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)c1cc(O)cc(F)c1 ZINC000926722943 1327683753 /nfs/dbraw/zinc/68/37/53/1327683753.db2.gz BCTFSIRIRFZKAW-AWEZNQCLSA-N 1 0 344.430 3.343 10 10 EGCERO CC[C@@H]([NH2+]C[C@H]1C[C@@H]2COC[C@@H]2O1)c1ccc(C(F)(F)F)cc1O ZINC000926944519 1327787728 /nfs/dbraw/zinc/78/77/28/1327787728.db2.gz PZQXBTAOBMHHNK-AEKOTVAKSA-N 1 0 345.361 3.256 10 10 EGCERO O=C1C[C@H](CC[NH2+][C@@H](CCc2ccccc2)c2ccccc2O)CN1 ZINC000926977094 1327805604 /nfs/dbraw/zinc/80/56/04/1327805604.db2.gz CKWPTHPUEPFZGK-HKUYNNGSSA-N 1 0 338.451 3.182 10 10 EGCERO C[C@H]([NH2+]C[C@H]1CCC2(CCOCC2)O1)c1ccc(Cl)cc1O ZINC000927012737 1327819898 /nfs/dbraw/zinc/81/98/98/1327819898.db2.gz BETGIUKAHXHPSB-GXTWGEPZSA-N 1 0 325.836 3.424 10 10 EGCERO CC[C@@H]([NH2+]C[C@@H]1CCN1C1CCOCC1)c1ccc(N(C)C)cc1 ZINC000927109945 1327870666 /nfs/dbraw/zinc/87/06/66/1327870666.db2.gz OSILEIGTWJDIES-VQTJNVASSA-N 1 0 331.504 3.047 10 10 EGCERO CCCN(CCC)c1ccc(C[N@H+](C)[C@H]2CCC(=O)N(C)C2)cc1 ZINC000862428080 1329486021 /nfs/dbraw/zinc/48/60/21/1329486021.db2.gz KCDLARUFAVDEGM-IBGZPJMESA-N 1 0 331.504 3.366 10 10 EGCERO Cc1cc(N(C)C)ccc1C[NH2+]C[C@H](n1cccn1)C(F)(F)F ZINC000862435083 1329486706 /nfs/dbraw/zinc/48/67/06/1329486706.db2.gz MXGYAGDGPKLYPN-HNNXBMFYSA-N 1 0 326.366 3.151 10 10 EGCERO CC(C)(C[NH2+]Cc1ccc2ccccc2c1O)C(=O)N1CCCC1 ZINC000862527736 1329492288 /nfs/dbraw/zinc/49/22/88/1329492288.db2.gz FMZCGNPZIMPLPG-UHFFFAOYSA-N 1 0 326.440 3.284 10 10 EGCERO CCC1(N2CCOCC2)CC[NH+](Cc2cc(C)c(C)cc2O)CC1 ZINC000862535547 1329493502 /nfs/dbraw/zinc/49/35/02/1329493502.db2.gz QMXARGLTVOWSDF-UHFFFAOYSA-N 1 0 332.488 3.086 10 10 EGCERO COc1cccc([C@H](O)C2CC[NH+](Cc3cc(F)ccc3O)CC2)c1 ZINC000862544201 1329495139 /nfs/dbraw/zinc/49/51/39/1329495139.db2.gz UBTXKABVCVNXIV-HXUWFJFHSA-N 1 0 345.414 3.486 10 10 EGCERO C[C@@H](CCc1cccnc1)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000866240897 1330084089 /nfs/dbraw/zinc/08/40/89/1330084089.db2.gz PWROQXTYYFSYKG-KRWDZBQOSA-N 1 0 325.456 3.029 10 10 EGCERO COc1ccc(N2CC[C@@H]([NH2+][C@@H](C)CCc3cccnc3)C2)cc1 ZINC000866384354 1330104785 /nfs/dbraw/zinc/10/47/85/1330104785.db2.gz AITCOOGOYSXUPS-FUHWJXTLSA-N 1 0 325.456 3.280 10 10 EGCERO C[C@H]([NH2+]CCC1(O)CCN(c2ccccc2)CC1)c1ccccc1O ZINC000866443388 1330113328 /nfs/dbraw/zinc/11/33/28/1330113328.db2.gz LLAZMTZBXVXIPP-KRWDZBQOSA-N 1 0 340.467 3.464 10 10 EGCERO CO[C@@H]1CC[C@H]([NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC001116747639 1370966260 /nfs/dbraw/zinc/96/62/60/1370966260.db2.gz GCNYTMXGSTVOGP-JKSUJKDBSA-N 1 0 333.432 3.242 10 10 EGCERO Cc1cc(CC(=O)NCC(C)(C)[NH+](C)C)c(C)n1-c1ccccc1 ZINC001135445368 1377099704 /nfs/dbraw/zinc/09/97/04/1377099704.db2.gz UDLMSWOLTMUFGE-UHFFFAOYSA-N 1 0 327.472 3.093 10 10 EGCERO COc1ccc(C[NH2+]CCN(C)C(=O)c2c(C)cccc2F)cc1C ZINC001267143727 1377416882 /nfs/dbraw/zinc/41/68/82/1377416882.db2.gz PLBWFMTWILOJDC-UHFFFAOYSA-N 1 0 344.430 3.313 10 10 EGCERO COc1ccc(C[NH2+][C@H](CCNC(=O)[C@@H]2CC23CC3)C(C)C)cc1C ZINC001277592229 1378235775 /nfs/dbraw/zinc/23/57/75/1378235775.db2.gz WEDHYWGSEVJTEK-ZWKOTPCHSA-N 1 0 344.499 3.424 10 10 EGCERO COc1ccc(C[NH2+]C2CC(N(C)C(=O)CC(F)(F)F)C2)cc1C ZINC001279199079 1378301401 /nfs/dbraw/zinc/30/14/01/1378301401.db2.gz GBDUDQNUXZBSET-UHFFFAOYSA-N 1 0 344.377 3.035 10 10 EGCERO Cc1ccc(C)n1-c1ccsc1C(=O)N[C@@H]1C[N@@H+](C)CC1(C)C ZINC001156589630 1380597403 /nfs/dbraw/zinc/59/74/03/1380597403.db2.gz FYAHIEDKLJEQTD-OAHLLOKOSA-N 1 0 331.485 3.226 10 10 EGCERO CC(C)C[C@H](C)CC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001288334596 1381782363 /nfs/dbraw/zinc/78/23/63/1381782363.db2.gz LKVXLCOENKIFEP-KRWDZBQOSA-N 1 0 331.504 3.127 10 10 EGCERO C[NH+]1CCN(c2ccc(CNC(=O)[C@H]3CCCCC3(C)C)cc2)CC1 ZINC001288334549 1381782841 /nfs/dbraw/zinc/78/28/41/1381782841.db2.gz KINOKQGOWSBMLM-LJQANCHMSA-N 1 0 343.515 3.271 10 10 EGCERO COc1cc([N+](=O)[O-])c(N2CC[N@H+](C3CCCC3)[C@H](C)C2)cc1OC ZINC001307209472 1383957786 /nfs/dbraw/zinc/95/77/86/1383957786.db2.gz BQBKDBKKQRRFFS-CYBMUJFWSA-N 1 0 349.431 3.065 10 10 EGCERO CC(=O)c1cc(F)cc(C[NH2+][C@H](C(C)C)C2(CO)CCCC2)c1O ZINC001307823188 1384037227 /nfs/dbraw/zinc/03/72/27/1384037227.db2.gz JTMITXCCYQLSDN-GOSISDBHSA-N 1 0 337.435 3.401 10 10 EGCERO COc1ccc(N(C)CC[N@H+](C)CCCC(=O)OC(C)(C)C)cc1 ZINC001171728983 1384616240 /nfs/dbraw/zinc/61/62/40/1384616240.db2.gz CUFPIJWVPLQFIX-UHFFFAOYSA-N 1 0 336.476 3.185 10 10 EGCERO COc1ccc(C[NH2+][C@@H](C)CNC(=O)c2conc2C(C)C)cc1C ZINC001317246146 1385018809 /nfs/dbraw/zinc/01/88/09/1385018809.db2.gz MDOPVSUFUFDUEX-AWEZNQCLSA-N 1 0 345.443 3.023 10 10 EGCERO COc1ccc(C[NH2+]CCN(C)C(=O)c2occc2Cl)cc1C ZINC001317629631 1385362522 /nfs/dbraw/zinc/36/25/22/1385362522.db2.gz ZFMVVKXFNXMCDT-UHFFFAOYSA-N 1 0 336.819 3.112 10 10 EGCERO CC[C@@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)[NH2+]CCC(C)(C)C ZINC001318605947 1385790840 /nfs/dbraw/zinc/79/08/40/1385790840.db2.gz KSLFKSXQRZXVBF-AWEZNQCLSA-N 1 0 347.463 3.383 10 10 EGCERO COc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)c2ccoc2C)cc1C ZINC001319419243 1386113524 /nfs/dbraw/zinc/11/35/24/1386113524.db2.gz QLKVRKGISULCEN-CQSZACIVSA-N 1 0 330.428 3.155 10 10 EGCERO COc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)c2ccoc2C)cc1C ZINC001319419242 1386113538 /nfs/dbraw/zinc/11/35/38/1386113538.db2.gz QLKVRKGISULCEN-AWEZNQCLSA-N 1 0 330.428 3.155 10 10 EGCERO COc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)[C@H](C)c2ccco2)cc1C ZINC001319527580 1386162816 /nfs/dbraw/zinc/16/28/16/1386162816.db2.gz IXSBXFWFIMIBJO-JKSUJKDBSA-N 1 0 344.455 3.337 10 10 EGCERO COc1ccc(C[NH2+]C[C@H](CC(C)C)NC(=O)C(C)(F)F)cc1C ZINC001319596679 1386197454 /nfs/dbraw/zinc/19/74/54/1386197454.db2.gz PBESLNCJASFWHB-HNNXBMFYSA-N 1 0 342.430 3.279 10 10 EGCERO C/C=C(\C)C(=O)N[C@@](C)(C[NH2+]Cc1ccc(OC)c(C)c1)C1CC1 ZINC001698642341 1406290463 /nfs/dbraw/zinc/29/04/63/1406290463.db2.gz MGWJVGCELZDJLF-QILOHQJPSA-N 1 0 330.472 3.344 10 10 EGCERO CC/C=C\CC[NH2+][C@H](C)[C@@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001329201433 1389018921 /nfs/dbraw/zinc/01/89/21/1389018921.db2.gz BSJAWUKRFHMQAV-KDSILMPLSA-N 1 0 345.447 3.302 10 10 EGCERO COc1ccc(C[NH2+]CCC[C@@H](C)NC(=O)c2ccsn2)cc1C ZINC001330844323 1389542712 /nfs/dbraw/zinc/54/27/12/1389542712.db2.gz YATQBPADQZQJLJ-CQSZACIVSA-N 1 0 347.484 3.148 10 10 EGCERO CC[NH+](CC)CC[C@H](C)NC(=O)NCc1c(O)ccc2c1CCCC2 ZINC001479606832 1392286013 /nfs/dbraw/zinc/28/60/13/1392286013.db2.gz DNCUVHBVIJYILN-HNNXBMFYSA-N 1 0 347.503 3.191 10 10 EGCERO CCCC[NH2+]C[C@@H]1CCCCN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001480370893 1392712594 /nfs/dbraw/zinc/71/25/94/1392712594.db2.gz YJYHRHHNFXIBLA-INIZCTEOSA-N 1 0 345.447 3.233 10 10 EGCERO COc1ccc(C[NH2+][C@H](C)CNC(=O)c2cc(C)c(C)o2)cc1C ZINC001480449737 1392757203 /nfs/dbraw/zinc/75/72/03/1392757203.db2.gz VMFFDDVCUBBSPZ-CQSZACIVSA-N 1 0 330.428 3.122 10 10 EGCERO COc1ccc(C[NH2+][C@H](C)CNC(=O)[C@]23C[C@H]2CCCC3)cc1C ZINC001480533632 1392782111 /nfs/dbraw/zinc/78/21/11/1392782111.db2.gz LHWBPHHLGVEILC-WRWLIDTKSA-N 1 0 330.472 3.178 10 10 EGCERO COc1ccc(C[NH2+]CCN(C)C(=O)Cc2ccc(C)cc2)cc1C ZINC001481254862 1393154021 /nfs/dbraw/zinc/15/40/21/1393154021.db2.gz WOWWKPCCJFCLSL-UHFFFAOYSA-N 1 0 340.467 3.103 10 10 EGCERO COc1ccc(C[NH2+]C2(CNC(=O)c3ccc[nH]3)CCCC2)cc1C ZINC001482211467 1394804445 /nfs/dbraw/zinc/80/44/45/1394804445.db2.gz QYRFYAGURAMZOJ-UHFFFAOYSA-N 1 0 341.455 3.164 10 10 EGCERO COc1ccc(C[NH2+][C@@H](C)[C@H](C)NC(=O)c2ccccc2F)cc1C ZINC001485116279 1395663586 /nfs/dbraw/zinc/66/35/86/1395663586.db2.gz ORCWERIUVQMXQD-GJZGRUSLSA-N 1 0 344.430 3.439 10 10 EGCERO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)/C=C/C(C)(C)C)C2)cc1C ZINC001690270352 1404438095 /nfs/dbraw/zinc/43/80/95/1404438095.db2.gz CSVZNDPRUFTVCD-LLEACYOISA-N 1 0 330.472 3.343 10 10 EGCERO COc1ccc(C[NH2+][C@H]2CCN(C(=O)CC(C)=C(C)C)C2)cc1C ZINC001690674423 1404688182 /nfs/dbraw/zinc/68/81/82/1404688182.db2.gz ACMZUIOYYSTYNW-SFHVURJKSA-N 1 0 330.472 3.441 10 10 EGCERO COc1ccc(C[NH2+][C@H](C)CCNC(=O)C2(F)CCCC2)cc1C ZINC001690849755 1404775787 /nfs/dbraw/zinc/77/57/87/1404775787.db2.gz LDNGCHMKPIMJAG-OAHLLOKOSA-N 1 0 336.451 3.270 10 10 EGCERO CCC1(C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3ccc(OC)c(C)c3)C2)CC1 ZINC001691463601 1405284635 /nfs/dbraw/zinc/28/46/35/1405284635.db2.gz PHTRMWQKWSLAAR-CALCHBBNSA-N 1 0 330.472 3.178 10 10 EGCERO COc1ccc(C[NH2+]CCCN(C)C(=O)Cc2ccsc2)cc1C ZINC001699492939 1412888537 /nfs/dbraw/zinc/88/85/37/1412888537.db2.gz WQMNAUKCVCVVRW-UHFFFAOYSA-N 1 0 346.496 3.246 10 10 EGCERO COc1ccc(C[NH2+]C[C@@]2(C)CCN(C(=O)[C@@H]3CC34CC4)C2)cc1C ZINC001699848368 1413277335 /nfs/dbraw/zinc/27/73/35/1413277335.db2.gz PLSKMUFLYJVCCF-FXAWDEMLSA-N 1 0 342.483 3.132 10 10 EGCERO COc1ccc(C[NH2+]CC[C@@H](C)NC(=O)C2(CF)CCC2)cc1C ZINC001732734173 1428935471 /nfs/dbraw/zinc/93/54/71/1428935471.db2.gz QHXNEVZLXVLBHY-OAHLLOKOSA-N 1 0 336.451 3.128 10 10 EGCERO CC/C=C\CC[N@@H+]1CC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001713838527 1418635619 /nfs/dbraw/zinc/63/56/19/1418635619.db2.gz OVQDXMCRXAEWOZ-BTVVXOBGSA-N 1 0 343.431 3.009 10 10 EGCERO C=C/C(C)=C/CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001714002140 1418781923 /nfs/dbraw/zinc/78/19/23/1418781923.db2.gz PTSYKSCHGCFXLP-LDUCTVMHSA-N 1 0 328.456 3.263 10 10 EGCERO COc1ccc(C[NH2+]CC2(NC(=O)CCCF)CCCC2)cc1C ZINC001714139886 1418942471 /nfs/dbraw/zinc/94/24/71/1418942471.db2.gz XFYNNYXPILWOAF-UHFFFAOYSA-N 1 0 336.451 3.272 10 10 EGCERO CCCC[NH2+]CC1(NC(=O)c2ccc(N=NC(N)=O)cc2)CCCC1 ZINC001715102765 1419843748 /nfs/dbraw/zinc/84/37/48/1419843748.db2.gz HLZLRMNXJQRXSB-UHFFFAOYSA-N 1 0 345.447 3.281 10 10 EGCERO COc1ccc(C[NH2+]C2(CNC(=O)C(C)(C)C(C)C)CC2)cc1C ZINC001733245008 1429390176 /nfs/dbraw/zinc/39/01/76/1429390176.db2.gz YSTKWJQNDFUFTJ-UHFFFAOYSA-N 1 0 332.488 3.424 10 10 EGCERO CC[C@@H]1C[C@H]1C(=O)N1CC[C@H](CC[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001717099975 1421110016 /nfs/dbraw/zinc/11/00/16/1421110016.db2.gz IKBMKXUMFIXLFC-QXAKKESOSA-N 1 0 344.499 3.378 10 10 EGCERO COc1ccc(C[NH2+]CCCN(C)C(=O)[C@@H]2CC[C@H](C)C2)cc1C ZINC001723142544 1424307702 /nfs/dbraw/zinc/30/77/02/1424307702.db2.gz QLTDXDFGLOLXPR-MAUKXSAKSA-N 1 0 332.488 3.378 10 10 EGCERO COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)C[C@@H]2C=CCC2)cc1C ZINC001725479600 1426155151 /nfs/dbraw/zinc/15/51/51/1426155151.db2.gz NODLEPYDMJZMJE-IAGOWNOFSA-N 1 0 330.472 3.296 10 10 EGCERO COc1ccc(C[NH2+]C[C@@H](NC(=O)C2CCC2)C(C)(C)C)cc1C ZINC001725731274 1426401887 /nfs/dbraw/zinc/40/18/87/1426401887.db2.gz BYRVGTWIMAJQNL-GOSISDBHSA-N 1 0 332.488 3.424 10 10 EGCERO COc1ccc(C[NH2+][C@H](C)CNC(=O)C[C@H](C)n2cccc2)cc1C ZINC001731632377 1427685294 /nfs/dbraw/zinc/68/52/94/1427685294.db2.gz HEFBSMVNQQZEMT-SJORKVTESA-N 1 0 343.471 3.051 10 10 EGCERO Cc1cc(C(=O)N2CCC[N@@H+](C)CC2)c(C)n1-c1ccc(F)cc1 ZINC000098067780 219077122 /nfs/dbraw/zinc/07/71/22/219077122.db2.gz XFAFQEHYISHTJG-UHFFFAOYSA-N 1 0 329.419 3.011 10 10 EGCERO CN(C)Cc1cc(C[C@@H]2C[C@H]([NH2+]Cc3ccccc3O)C2(C)C)no1 ZINC000067889801 215242581 /nfs/dbraw/zinc/24/25/81/215242581.db2.gz IKAHEHZLJSXFJN-BEFAXECRSA-N 1 0 343.471 3.189 10 10 EGCERO CC[C@H](c1cc(Br)ccc1O)N(C)[C@@H]1CCC[NH2+]C1 ZINC000104354192 219377414 /nfs/dbraw/zinc/37/74/14/219377414.db2.gz XOFRIDYBAFPPBQ-TZMCWYRMSA-N 1 0 327.266 3.290 10 10 EGCERO CN(C)c1ccc([C@@H](CNC(=O)CC(C)(C)C)[NH+]2CCCC2)cc1 ZINC000005097901 210390240 /nfs/dbraw/zinc/39/02/40/210390240.db2.gz HKKRIQBFZMQEQO-GOSISDBHSA-N 1 0 331.504 3.442 10 10 EGCERO CCn1cc([C@@H]2C[N@H+](Cc3c(O)ccc4ccccc43)CCO2)cn1 ZINC000189848200 455245716 /nfs/dbraw/zinc/24/57/16/455245716.db2.gz RJUOSRSOPPUROR-FQEVSTJZSA-N 1 0 337.423 3.335 10 10 EGCERO Cn1cc(C[NH2+]Cc2ccc(N3CCCC3)cc2)c(-c2cccnc2)n1 ZINC000097159943 454417621 /nfs/dbraw/zinc/41/76/21/454417621.db2.gz PUKJGTYBPAIYAB-UHFFFAOYSA-N 1 0 347.466 3.372 10 10 EGCERO CCN(CC)c1ccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CNC(=O)C2)cc1 ZINC000092105991 454524679 /nfs/dbraw/zinc/52/46/79/454524679.db2.gz UXKWVHOMRZENSE-IEBWSBKVSA-N 1 0 329.488 3.023 10 10 EGCERO CCOc1ccc(O)c(C[NH+]2CCC(C(=O)N3CCCCC3)CC2)c1 ZINC000162656285 454791038 /nfs/dbraw/zinc/79/10/38/454791038.db2.gz LLNMKDNRGZMIPU-UHFFFAOYSA-N 1 0 346.471 3.015 10 10 EGCERO CCCC[N@H+](Cc1cc(Cl)cc(C)c1O)[C@@H]1CCS(=O)(=O)C1 ZINC000179568023 455059038 /nfs/dbraw/zinc/05/90/38/455059038.db2.gz RHRLQYRARUEPRS-OAHLLOKOSA-N 1 0 345.892 3.143 10 10 EGCERO CCc1nccn1[C@@H]1CCC[N@H+](Cc2cc(OC)c(OC)cc2O)C1 ZINC000180138538 455138783 /nfs/dbraw/zinc/13/87/83/455138783.db2.gz ISZKRFBUVQBDHC-OAHLLOKOSA-N 1 0 345.443 3.005 10 10 EGCERO CC(C)c1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)CC2 ZINC000180644778 455217138 /nfs/dbraw/zinc/21/71/38/455217138.db2.gz COTKUHQHYSERFX-HOCLYGCPSA-N 1 0 327.476 3.133 10 10 EGCERO CC(C)c1nnc2n1C[C@H]([NH2+]Cc1c([O-])ccc(Cl)c1F)CC2 ZINC000190916422 455404958 /nfs/dbraw/zinc/40/49/58/455404958.db2.gz KNYMDVGFVDWAPG-SNVBAGLBSA-N 1 0 338.814 3.004 10 10 EGCERO CC(C)c1nnc2n1C[C@@H]([NH2+]Cc1c([O-])ccc(Cl)c1F)CC2 ZINC000190916441 455405343 /nfs/dbraw/zinc/40/53/43/455405343.db2.gz KNYMDVGFVDWAPG-JTQLQIEISA-N 1 0 338.814 3.004 10 10 EGCERO CO[C@@H]1CC[C@H]2OCC[N@H+](Cc3ccc(N4CCCCC4)cc3)[C@H]2C1 ZINC000246095014 455425410 /nfs/dbraw/zinc/42/54/10/455425410.db2.gz IWQVUTBOPSFYLT-QHAWAJNXSA-N 1 0 344.499 3.445 10 10 EGCERO COc1cc(Cl)cc(C[NH+]2CCC(c3ccnn3C)CC2)c1O ZINC000184686759 455428004 /nfs/dbraw/zinc/42/80/04/455428004.db2.gz YGJWDBQAWRFUHK-UHFFFAOYSA-N 1 0 335.835 3.167 10 10 EGCERO COc1cc(Cl)cc(C[N@@H+]2CCC[C@H](n3cc(C)cn3)C2)c1O ZINC000184691063 455429288 /nfs/dbraw/zinc/42/92/88/455429288.db2.gz QBLMYXJCIMXSAX-HNNXBMFYSA-N 1 0 335.835 3.396 10 10 EGCERO COc1cc(Cl)cc(C[N@@H+]2CC[C@H](Oc3cccnc3)C2)c1O ZINC000184699218 455430322 /nfs/dbraw/zinc/43/03/22/455430322.db2.gz LGXLETPQWOJZLV-HNNXBMFYSA-N 1 0 334.803 3.103 10 10 EGCERO COc1cc(O)c(C[N@@H+]2C[C@H](c3ccccc3)OC[C@H]2C)cc1OC ZINC000160117849 455430843 /nfs/dbraw/zinc/43/08/43/455430843.db2.gz LAVQXAUBGOGVMS-JLTOFOAXSA-N 1 0 343.423 3.371 10 10 EGCERO CC(=O)N1CC[C@H]([NH2+]Cc2cc(C)ccc2O)c2ccc(F)cc2C1 ZINC000185352842 455546543 /nfs/dbraw/zinc/54/65/43/455546543.db2.gz UQFDCANYNWDWGN-IBGZPJMESA-N 1 0 342.414 3.423 10 10 EGCERO COc1ccc(O)c([C@H](C)[NH2+][C@H]2CCCn3nc(C(C)C)nc32)c1 ZINC000185684022 455596019 /nfs/dbraw/zinc/59/60/19/455596019.db2.gz JPVINRKVQPKXTB-WFASDCNBSA-N 1 0 330.432 3.301 10 10 EGCERO Cc1nc2n(n1)CCC[C@@H]2[NH2+][C@H](C)c1cc2c(cc1O)CCCC2 ZINC000186096869 455693179 /nfs/dbraw/zinc/69/31/79/455693179.db2.gz WALQAHQNRZZTQD-PXAZEXFGSA-N 1 0 326.444 3.357 10 10 EGCERO Cc1ccccc1[C@@H](O)C[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000268851424 455715741 /nfs/dbraw/zinc/71/57/41/455715741.db2.gz CIJIWBFHPMMMNJ-UWJYYQICSA-N 1 0 340.467 3.216 10 10 EGCERO CCc1cc(N2CCC[C@H]([NH2+][C@H](C)c3cc(C)ccc3O)C2)ncn1 ZINC000248486730 455716786 /nfs/dbraw/zinc/71/67/86/455716786.db2.gz FTIIVIMCWHLEBX-WBVHZDCISA-N 1 0 340.471 3.373 10 10 EGCERO Cc1cc(C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c(C)n1-c1ccc(F)cc1 ZINC000248631813 455723758 /nfs/dbraw/zinc/72/37/58/455723758.db2.gz PGWNVXSYHURZKQ-ZOCIIQOWSA-N 1 0 341.430 3.043 10 10 EGCERO CCOc1ccc(O)c(C[NH2+][C@H](c2cccnc2)C(C)(C)CO)c1 ZINC000293531166 455790483 /nfs/dbraw/zinc/79/04/83/455790483.db2.gz BWDWKQJTFJGYHS-GOSISDBHSA-N 1 0 330.428 3.035 10 10 EGCERO CCOc1ccc(O)c(C[NH2+]Cc2ccnc(C(F)(F)F)c2)c1 ZINC000294949498 455832877 /nfs/dbraw/zinc/83/28/77/455832877.db2.gz CWNGDVXBLMOUQA-UHFFFAOYSA-N 1 0 326.318 3.495 10 10 EGCERO COC1CCN(c2ccc(C[N@H+](C(C)C)[C@@H]3CCOC3)cc2)CC1 ZINC000294936863 455833246 /nfs/dbraw/zinc/83/32/46/455833246.db2.gz ACHIBWWAZFLZAB-LJQANCHMSA-N 1 0 332.488 3.301 10 10 EGCERO CCCN(Cc1c(Br)cnn1C)c1ccc(C[NH3+])cc1 ZINC000278790439 455848456 /nfs/dbraw/zinc/84/84/56/455848456.db2.gz VTSKGJBFVZMZIY-UHFFFAOYSA-N 1 0 337.265 3.058 10 10 EGCERO CC(C)(C)OC(=O)N1CC[C@H](C[NH2+][C@@H]2CCc3cccc(O)c32)C1 ZINC000296270222 455896450 /nfs/dbraw/zinc/89/64/50/455896450.db2.gz CCKHKJFPYNGRLE-UKRRQHHQSA-N 1 0 332.444 3.226 10 10 EGCERO CN(CCCO)CC(=O)Nc1ccc(/N=N/c2ccccc2)cc1 ZINC000281622500 456276799 /nfs/dbraw/zinc/27/67/99/456276799.db2.gz HOKLNZGWEXODFQ-QZQOTICOSA-N 1 0 326.400 3.355 10 10 EGCERO CC[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1O)[C@@H](C)c1cccnc1 ZINC000290658053 456397978 /nfs/dbraw/zinc/39/79/78/456397978.db2.gz ZLFXAGJQFUWKBI-LBPRGKRZSA-N 1 0 331.372 3.287 10 10 EGCERO CCN(CC)c1ccc(C[NH2+]C[C@@H]2CCC3(CCOCC3)[C@@H]2O)cc1 ZINC000282913758 456663426 /nfs/dbraw/zinc/66/34/26/456663426.db2.gz VHYHGAGKPFKWOT-AZUAARDMSA-N 1 0 346.515 3.190 10 10 EGCERO [O-]c1c(Br)cccc1C[NH2+]C[C@H]1CCN1C1CCCC1 ZINC000527807146 459743138 /nfs/dbraw/zinc/74/31/38/459743138.db2.gz MUBNSNCMGBKHPY-CQSZACIVSA-N 1 0 339.277 3.261 10 10 EGCERO C[C@@H]1C[C@H]1N1C[C@H]([NH2+]Cc2cc(-c3ccccc3)ccc2O)CC1=O ZINC000742386742 576777548 /nfs/dbraw/zinc/77/75/48/576777548.db2.gz AKKZSLAMCVQJSF-NIKGAXFTSA-N 1 0 336.435 3.158 10 10 EGCERO C[N@@H+](Cc1cc(Cl)cc(Br)c1[O-])C[C@@H]1CCC[NH2+]C1 ZINC000708098548 1298234392 /nfs/dbraw/zinc/23/43/92/1298234392.db2.gz JULMRLAEYPNQFB-SNVBAGLBSA-N 1 0 347.684 3.240 10 10 EGCERO C[N@@H+]1CCC[C@H](c2cccc(C(=O)N3Cc4cccc(O)c4C3)c2)C1 ZINC000871205587 1296272825 /nfs/dbraw/zinc/27/28/25/1296272825.db2.gz HRSAFJGDHWCFHZ-KRWDZBQOSA-N 1 0 336.435 3.357 10 10 EGCERO Cc1cc(C(=O)NCC[C@H]2CC[NH2+]C2)c(C)n1-c1ccc(Cl)cc1 ZINC000262562366 1296638621 /nfs/dbraw/zinc/63/86/21/1296638621.db2.gz AASYHIGQTNOSFD-OAHLLOKOSA-N 1 0 345.874 3.477 10 10 EGCERO CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@@H](c3nc(C)cs3)C2)c1O ZINC000880007438 1300846569 /nfs/dbraw/zinc/84/65/69/1300846569.db2.gz HOPVZFFAGPQBKE-GFCCVEGCSA-N 1 0 334.416 3.488 10 10 EGCERO CCOc1cccc(C[NH2+]CC[C@@H]2CCC3(CCOCC3)CO2)c1O ZINC000886300820 1303427837 /nfs/dbraw/zinc/42/78/37/1303427837.db2.gz QBJLNXYYXUQAST-KRWDZBQOSA-N 1 0 349.471 3.246 10 10 EGCERO COc1cc(C)cc(C[NH2+][C@@H]2CCN(c3ccccc3OC)C2)c1O ZINC000894330944 1306346754 /nfs/dbraw/zinc/34/67/54/1306346754.db2.gz ZIGBQXLMFLEVLU-MRXNPFEDSA-N 1 0 342.439 3.086 10 10 EGCERO Oc1cc(Br)ccc1C[N@@H+]1CC[C@H]([C@@H]2CCCO2)C1 ZINC000895845961 1309556424 /nfs/dbraw/zinc/55/64/24/1309556424.db2.gz SEAZPUUUXRCABD-WFASDCNBSA-N 1 0 326.234 3.156 10 10 EGCERO O=C(NCCCCC[NH+]1CCCC1)c1cc2cc(O)c(O)cc2s1 ZINC000897853384 1310491393 /nfs/dbraw/zinc/49/13/93/1310491393.db2.gz SEBMHVSIHQUHMM-UHFFFAOYSA-N 1 0 348.468 3.308 10 10 EGCERO C[C@@H]([NH2+][C@H]1c2ccccc2CN(C)C1=O)c1cc(Cl)ccc1O ZINC000857875383 1328611675 /nfs/dbraw/zinc/61/16/75/1328611675.db2.gz LXWADKFGYUETTG-DIFFPNOSSA-N 1 0 330.815 3.410 10 10 EGCERO Cc1ccncc1/C=C\C(=O)N1C[C@@H]([NH+](C)C)CCc2ccccc21 ZINC000857927519 1328628965 /nfs/dbraw/zinc/62/89/65/1328628965.db2.gz RWPMJJRELCCJRB-JQYPEGPJSA-N 1 0 335.451 3.313 10 10 EGCERO Cc1cncc(/C=C\C(=O)N2C[C@H]([NH+](C)C)CCc3ccccc32)c1 ZINC000857928903 1328629884 /nfs/dbraw/zinc/62/98/84/1328629884.db2.gz VONGHIIAXJFRQX-SCEWNMGZSA-N 1 0 335.451 3.313 10 10 EGCERO Cc1cc(C[NH2+]Cc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)ccn1 ZINC000858101028 1328682636 /nfs/dbraw/zinc/68/26/36/1328682636.db2.gz XBWZRJDVPUVXEH-IYBDPMFKSA-N 1 0 343.446 3.433 10 10 EGCERO CCC[N@@H+](Cc1ccccc1O)C[C@H](O)CC[C@H](O)c1ccccc1 ZINC000929753630 1328688762 /nfs/dbraw/zinc/68/87/62/1328688762.db2.gz SYOCLHUYDZEXLI-CTNGQTDRSA-N 1 0 343.467 3.479 10 10 EGCERO CN(C)c1cc(F)c(C[NH2+]CCC[C@H]2CCCC[C@@H]2O)cc1F ZINC000858150613 1328697453 /nfs/dbraw/zinc/69/74/53/1328697453.db2.gz CHAVJAHGHLXLJH-ACJLOTCBSA-N 1 0 326.431 3.452 10 10 EGCERO O=[N+]([O-])c1cc(C[NH2+]CC[C@H]2CCCOC2)ccc1N1CCCCC1 ZINC000858205622 1328710948 /nfs/dbraw/zinc/71/09/48/1328710948.db2.gz BSAXSESVWACDOI-MRXNPFEDSA-N 1 0 347.459 3.491 10 10 EGCERO Oc1ccccc1C[N@H+](CCCc1cccnc1)C[C@H]1CCCO1 ZINC000929970251 1328753159 /nfs/dbraw/zinc/75/31/59/1328753159.db2.gz JCUOLCUXYUPDHL-LJQANCHMSA-N 1 0 326.440 3.401 10 10 EGCERO C[C@H]([NH2+][C@H](CO)c1ccnn1C)c1ccc(N2CCCCCC2)cc1 ZINC000858434183 1328761543 /nfs/dbraw/zinc/76/15/43/1328761543.db2.gz CTEJPOSLCZIOEZ-QFBILLFUSA-N 1 0 342.487 3.185 10 10 EGCERO C[C@H]([NH2+]C[C@@H](n1cccn1)C(F)(F)F)c1ccc(N(C)C)cc1 ZINC000858449100 1328765729 /nfs/dbraw/zinc/76/57/29/1328765729.db2.gz WNYZXACZDNOHEI-SWLSCSKDSA-N 1 0 326.366 3.403 10 10 EGCERO Oc1cc2c(cc1C[NH+]1CCN(c3ccc(Cl)cn3)CC1)CCC2 ZINC000921188673 1322270941 /nfs/dbraw/zinc/27/09/41/1322270941.db2.gz MRNYYFWURXCCEH-UHFFFAOYSA-N 1 0 343.858 3.252 10 10 EGCERO C[C@H](NC(=O)NCc1c(O)cccc1F)[C@@H](c1ccccc1)[NH+](C)C ZINC000922414594 1322524291 /nfs/dbraw/zinc/52/42/91/1322524291.db2.gz OTTDZOFAHUSNHD-UGSOOPFHSA-N 1 0 345.418 3.022 10 10 EGCERO Cn1nc(C(F)(F)F)cc1C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000922714146 1322600563 /nfs/dbraw/zinc/60/05/63/1322600563.db2.gz UOVPCGSZMITOEK-UHFFFAOYSA-N 1 0 325.334 3.054 10 10 EGCERO COc1ccc(C[NH2+][C@@H]2CCS[C@H](C)C2)cc1Cn1cccn1 ZINC000922834973 1322629274 /nfs/dbraw/zinc/62/92/74/1322629274.db2.gz WUWVYPBFYDJKGE-RHSMWYFYSA-N 1 0 331.485 3.314 10 10 EGCERO C[C@H]([NH2+]C1CC2(C1)CO[C@@H](C)C2)c1ccc(N2CCOCC2)cc1 ZINC000924794763 1323165757 /nfs/dbraw/zinc/16/57/57/1323165757.db2.gz HJWNOONGWFANQU-MQFISKJYSA-N 1 0 330.472 3.131 10 10 EGCERO COc1ccc(N2CCC([NH2+]C3CC4(C3)CO[C@@H](C)C4)CC2)cc1 ZINC000924908653 1323208507 /nfs/dbraw/zinc/20/85/07/1323208507.db2.gz XAMHFZRQESPIBD-FVWXCPNNSA-N 1 0 330.472 3.211 10 10 EGCERO CCn1nc(C)c([C@@H](C)[NH2+][C@H](C)Cc2ccc(N(C)C)cc2C)n1 ZINC000926597340 1327630387 /nfs/dbraw/zinc/63/03/87/1327630387.db2.gz WREIJGKHGBLAIK-HUUCEWRRSA-N 1 0 329.492 3.263 10 10 EGCERO COc1ccc(N2CC[C@H](C[NH2+][C@H]3CCOC[C@@H]3C(C)C)C2)cc1 ZINC000926613536 1327635601 /nfs/dbraw/zinc/63/56/01/1327635601.db2.gz URDWNVRHDVKUAJ-AHRSYUTCSA-N 1 0 332.488 3.172 10 10 EGCERO COc1ccc(N2CC[C@H]([NH2+][C@@H](C)C3(Br)CC3)C2)cc1 ZINC000926680316 1327662434 /nfs/dbraw/zinc/66/24/34/1327662434.db2.gz MBVMUDLZCFOEDI-STQMWFEESA-N 1 0 339.277 3.180 10 10 EGCERO COc1ccc(N2CC[C@H]([NH2+][C@H](C)C3(Br)CC3)C2)cc1 ZINC000926680313 1327663570 /nfs/dbraw/zinc/66/35/70/1327663570.db2.gz MBVMUDLZCFOEDI-OLZOCXBDSA-N 1 0 339.277 3.180 10 10 EGCERO CCc1noc([C@@H]2CC[C@@H]([NH2+][C@@H](C)c3cc(OC)ccc3O)C2)n1 ZINC000927054739 1327832511 /nfs/dbraw/zinc/83/25/11/1327832511.db2.gz ZNYFZNQUAMRJJC-YNEHKIRRSA-N 1 0 331.416 3.333 10 10 EGCERO C[C@@H](NC(=O)NC1CCC(C)([NH+]2CCC2)CC1)c1ccccc1O ZINC000927300950 1327964096 /nfs/dbraw/zinc/96/40/96/1327964096.db2.gz SIIIKJBCQJTEJD-TZGCNFNXSA-N 1 0 331.460 3.159 10 10 EGCERO Oc1cccc(Br)c1C[N@@H+]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000862253259 1329472007 /nfs/dbraw/zinc/47/20/07/1329472007.db2.gz KPJPUXAVTITJBI-CHWSQXEVSA-N 1 0 340.261 3.403 10 10 EGCERO C[C@H](NC(=O)NC[C@H](c1ccco1)[NH+]1CCCC1)c1ccccc1O ZINC000864423987 1329613302 /nfs/dbraw/zinc/61/33/02/1329613302.db2.gz RIACYDQEFVTUCK-GOEBONIOSA-N 1 0 343.427 3.183 10 10 EGCERO Fc1cc(C[NH2+][C@@H](C2CCC2)[C@H]2CCCO2)ccc1N1CCOCC1 ZINC000865737215 1329734048 /nfs/dbraw/zinc/73/40/48/1329734048.db2.gz RYLPPRLWLLGAJH-UXHICEINSA-N 1 0 348.462 3.100 10 10 EGCERO O=[N+]([O-])c1cc(C[NH2+][C@]23CCC[C@H]2OCC3)ccc1N1CCCCC1 ZINC000865859409 1329746199 /nfs/dbraw/zinc/74/61/99/1329746199.db2.gz NPZCXOATBXYQCA-MOPGFXCFSA-N 1 0 345.443 3.386 10 10 EGCERO CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@H](Cc3nccs3)C2)c1O ZINC000934332145 1329967486 /nfs/dbraw/zinc/96/74/86/1329967486.db2.gz IEFIDNVAXAOTIF-GFCCVEGCSA-N 1 0 334.416 3.255 10 10 EGCERO C[C@@H]([NH2+]CCOCC(=O)OC(C)(C)C)c1ccc(Cl)cc1O ZINC000866437763 1330112558 /nfs/dbraw/zinc/11/25/58/1330112558.db2.gz NYIOZIBQKLSCOR-LLVKDONJSA-N 1 0 329.824 3.055 10 10 EGCERO C[C@H]([NH2+]Cc1ccnc(F)c1)c1ccc(N2CCOCC2)c(F)c1 ZINC000866474408 1330116750 /nfs/dbraw/zinc/11/67/50/1330116750.db2.gz OONZEFMIRWBZBZ-ZDUSSCGKSA-N 1 0 333.382 3.047 10 10 EGCERO C[C@H](NC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1)c1ccccc1O ZINC000868449152 1330281778 /nfs/dbraw/zinc/28/17/78/1330281778.db2.gz UGGLLCPNMPFACG-YJLNNSPDSA-N 1 0 339.439 3.198 10 10 EGCERO Cc1cc(CNC(=O)CC[N@@H+]2CC[C@H](F)C2)c(C)n1-c1ccccc1 ZINC001151153957 1379668961 /nfs/dbraw/zinc/66/89/61/1379668961.db2.gz PSHCQKJTIYOOHN-SFHVURJKSA-N 1 0 343.446 3.144 10 10 EGCERO C=C/C(C)=C/CC(=O)N1C[C@H](C)[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001327907420 1388622035 /nfs/dbraw/zinc/62/20/35/1388622035.db2.gz WEYIHZGEAOVMIL-YJZHIHKYSA-N 1 0 342.483 3.463 10 10 EGCERO CCC1(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)CCCCC1 ZINC001288335141 1381782703 /nfs/dbraw/zinc/78/27/03/1381782703.db2.gz ZZFRMUMUZKITGW-UHFFFAOYSA-N 1 0 343.515 3.415 10 10 EGCERO Cc1noc(C)c1CCC[NH2+]Cc1c(O)cccc1Br ZINC001328689355 1388809117 /nfs/dbraw/zinc/80/91/17/1388809117.db2.gz PCBMQTUTYJPSGT-UHFFFAOYSA-N 1 0 339.233 3.482 10 10 EGCERO CCN(C)c1ccc(CN2CC3(CCCC3)OC[C@@H]2C[NH+](C)C)cc1 ZINC001307939668 1384059707 /nfs/dbraw/zinc/05/97/07/1384059707.db2.gz WTPRILXJEIWRGN-FQEVSTJZSA-N 1 0 345.531 3.218 10 10 EGCERO COc1ccc(Cl)cc1NC(=O)C[NH2+][C@@H](C)c1ccccc1O ZINC001308009930 1384074212 /nfs/dbraw/zinc/07/42/12/1384074212.db2.gz HQTJDBAOKPHYPG-NSHDSACASA-N 1 0 334.803 3.344 10 10 EGCERO COc1ccc(C[NH2+][C@@H](C)CNC(=O)c2ccc(F)cc2F)cc1C ZINC001317283324 1385054730 /nfs/dbraw/zinc/05/47/30/1385054730.db2.gz ZJHAVVDVRPPSDS-ZDUSSCGKSA-N 1 0 348.393 3.190 10 10 EGCERO C[C@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)[NH2+]CCCC(C)(C)C ZINC001317287653 1385060518 /nfs/dbraw/zinc/06/05/18/1385060518.db2.gz DPXICDQYYQVUTO-CYBMUJFWSA-N 1 0 347.463 3.383 10 10 EGCERO COc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)C2(CCF)CC2)cc1C ZINC001319503326 1386150227 /nfs/dbraw/zinc/15/02/27/1386150227.db2.gz RQTMOWDBHLKTFO-OAHLLOKOSA-N 1 0 336.451 3.080 10 10 EGCERO COc1ccc(C[NH2+][C@H](CNC(=O)[C@@H]2CC2(C)C)C(C)C)cc1C ZINC001319902830 1386377657 /nfs/dbraw/zinc/37/76/57/1386377657.db2.gz DIXDGRAVDAVHIZ-DLBZAZTESA-N 1 0 332.488 3.280 10 10 EGCERO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)C[C@H](C)c2ccco2)cc1C ZINC001321711051 1386963260 /nfs/dbraw/zinc/96/32/60/1386963260.db2.gz YUFMFYCIKCOHHI-JKSUJKDBSA-N 1 0 344.455 3.385 10 10 EGCERO COc1ccc(C[NH2+]C[C@H](C)NC(=O)c2ccccc2C)cc1C ZINC001321780080 1386983619 /nfs/dbraw/zinc/98/36/19/1386983619.db2.gz YNXMLZJRDDWCCF-INIZCTEOSA-N 1 0 326.440 3.220 10 10 EGCERO CC1(C)CCN(C(=O)c2cc3cc(O)c(O)cc3s2)CC(C)(C)[NH2+]1 ZINC001348211747 1391186187 /nfs/dbraw/zinc/18/61/87/1391186187.db2.gz CKNZPTRMCNZCBV-UHFFFAOYSA-N 1 0 348.468 3.305 10 10 EGCERO CC(C)(C[NH2+]Cc1ccc(N2CCCC2)cc1)C(=O)N1CCCC1 ZINC001351341213 1391628955 /nfs/dbraw/zinc/62/89/55/1391628955.db2.gz CMTXKHYWDJTSGV-UHFFFAOYSA-N 1 0 329.488 3.025 10 10 EGCERO COc1ccc(C[NH2+][C@@H](CNC(=O)CC(C)(F)F)C(C)C)cc1C ZINC001482553637 1395086311 /nfs/dbraw/zinc/08/63/11/1395086311.db2.gz FZYXVGBCWXWYAI-HNNXBMFYSA-N 1 0 342.430 3.279 10 10 EGCERO COc1ccc(C[NH2+][C@H](C)CCNC(=O)[C@H](C)c2ccco2)cc1C ZINC001492082278 1396303083 /nfs/dbraw/zinc/30/30/83/1396303083.db2.gz ADALTCWAKGWVOX-HZPDHXFCSA-N 1 0 344.455 3.385 10 10 EGCERO COc1ccc(C[NH2+]C/C=C/CNC(=O)c2occc2Cl)cc1C ZINC001497672768 1396777613 /nfs/dbraw/zinc/77/76/13/1396777613.db2.gz VDVPNFNKNCGYLF-ONEGZZNKSA-N 1 0 348.830 3.326 10 10 EGCERO COc1ccc(C[NH2+]C/C=C/CNC(=O)c2ccc(C)cc2)cc1C ZINC001497744798 1396819191 /nfs/dbraw/zinc/81/91/91/1396819191.db2.gz YUFHZIXGGGCACJ-SNAWJCMRSA-N 1 0 338.451 3.388 10 10 EGCERO CC[C@H](F)C(=O)NC1CCC([NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC001690538094 1404626248 /nfs/dbraw/zinc/62/62/48/1404626248.db2.gz CUIVTNFLEIKHHY-JCYILVPMSA-N 1 0 336.451 3.269 10 10 EGCERO COc1ccc(C[NH2+]C2(CNC(=O)C3(C4CC4)CC3)CCC2)cc1C ZINC001700155775 1413570544 /nfs/dbraw/zinc/57/05/44/1413570544.db2.gz ODEREMQLZHFRGV-UHFFFAOYSA-N 1 0 342.483 3.322 10 10 EGCERO COc1ccc(C[NH2+][C@@H](CNC(=O)c2cc(C)co2)C2CC2)cc1C ZINC001713117579 1417682992 /nfs/dbraw/zinc/68/29/92/1417682992.db2.gz YGHOBHKKGSMTDK-KRWDZBQOSA-N 1 0 342.439 3.203 10 10 EGCERO COc1ccc(C[NH2+][C@@H](C)CCNC(=O)C2(C)CC=CC2)cc1C ZINC001713415998 1418039649 /nfs/dbraw/zinc/03/96/49/1418039649.db2.gz NOWZXFRGJKKNGI-INIZCTEOSA-N 1 0 330.472 3.344 10 10 EGCERO COc1ccc(C[NH2+][C@H](CNC(=O)[C@@H]2CC23CCC3)C2CC2)cc1C ZINC001713876437 1418673018 /nfs/dbraw/zinc/67/30/18/1418673018.db2.gz HOQJPRPVHLMYDN-ZWKOTPCHSA-N 1 0 342.483 3.178 10 10 EGCERO CC[C@H](C)CC(=O)N1CC[C@H](C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001714344187 1419116222 /nfs/dbraw/zinc/11/62/22/1419116222.db2.gz CNAODQQISZSUDQ-MAUKXSAKSA-N 1 0 332.488 3.378 10 10 EGCERO COc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)CCc2ccco2)cc1C ZINC001714542358 1419268088 /nfs/dbraw/zinc/26/80/88/1419268088.db2.gz ZMWIFGQSKIJHCK-MRXNPFEDSA-N 1 0 344.455 3.166 10 10 EGCERO COc1ccc(C[NH2+]C[C@H](C)CNC(=O)c2ccsc2)cc1C ZINC001715221399 1419955059 /nfs/dbraw/zinc/95/50/59/1419955059.db2.gz LIIVXUDXAZVYRT-ZDUSSCGKSA-N 1 0 332.469 3.221 10 10 EGCERO COc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)c2cc(C)co2)cc1C ZINC001715354940 1420055049 /nfs/dbraw/zinc/05/50/49/1420055049.db2.gz KLZCOSMKEOPOAE-OAHLLOKOSA-N 1 0 330.428 3.155 10 10 EGCERO COc1ccc(C[NH2+]C/C=C\CNC(=O)c2cccc(F)c2)cc1C ZINC001715781173 1420341528 /nfs/dbraw/zinc/34/15/28/1420341528.db2.gz IZGFFIVRNVDECU-ARJAWSKDSA-N 1 0 342.414 3.219 10 10 EGCERO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)c2ccc(Cl)o2)cc1C ZINC001715916621 1420396073 /nfs/dbraw/zinc/39/60/73/1420396073.db2.gz FPYRMDNSYCSLDI-GFCCVEGCSA-N 1 0 336.819 3.158 10 10 EGCERO CCN(CC[NH2+]Cc1ccc(OC)c(C)c1)C(=O)/C=C(/C)C1CC1 ZINC001716208214 1420566536 /nfs/dbraw/zinc/56/65/36/1420566536.db2.gz QVTHUENLKXDGLO-SQFISAMPSA-N 1 0 330.472 3.298 10 10 EGCERO COc1ccc(C[NH2+]CC[C@@H]2CCN(C(=O)c3ccoc3)C2)cc1C ZINC001717069807 1421098674 /nfs/dbraw/zinc/09/86/74/1421098674.db2.gz FNOIACNRZJLVAB-MRXNPFEDSA-N 1 0 342.439 3.239 10 10 EGCERO COc1ccc(C[NH2+][C@H]2CCN(C(=O)CCCF)[C@@H](C)C2)cc1C ZINC001723856569 1424586547 /nfs/dbraw/zinc/58/65/47/1424586547.db2.gz APPKLIMONAFDFC-RDJZCZTQSA-N 1 0 336.451 3.222 10 10 EGCERO COc1ccc(C[NH2+]CC[C@H]2CCN(C(=O)C3CC=CC3)C2)cc1C ZINC001724697633 1425056520 /nfs/dbraw/zinc/05/65/20/1425056520.db2.gz KSVALPVFMZWZEO-KRWDZBQOSA-N 1 0 342.483 3.298 10 10 EGCERO COc1ccc(C[NH2+]CC[C@@H]2CCN(C(=O)C3CC=CC3)C2)cc1C ZINC001724697637 1425056744 /nfs/dbraw/zinc/05/67/44/1425056744.db2.gz KSVALPVFMZWZEO-QGZVFWFLSA-N 1 0 342.483 3.298 10 10 EGCERO COc1ccc(C[NH2+]C[C@H]2C[C@H](NC(=O)CCC(C)C)C2)cc1C ZINC001725350588 1426003774 /nfs/dbraw/zinc/00/37/74/1426003774.db2.gz KJIMFKQMLLHBJW-IYARVYRRSA-N 1 0 332.488 3.424 10 10 EGCERO COc1ccc(C[NH2+]C[C@H]2C[C@H](NC(=O)C3(CCF)CC3)C2)cc1C ZINC001734211336 1437944732 /nfs/dbraw/zinc/94/47/32/1437944732.db2.gz OAHMNKIBSJDMKL-QAQDUYKDSA-N 1 0 348.462 3.128 10 10 EGCERO COc1cc(Br)cc(C[NH2+][C@H](C)c2cccnc2)c1O ZINC000069536783 215466625 /nfs/dbraw/zinc/46/66/25/215466625.db2.gz MRLFVACIHOVHLY-SNVBAGLBSA-N 1 0 337.217 3.409 10 10 EGCERO COc1cccc(-c2ccc(O)c(C[NH2+]CCN3CCCCC3)c2)n1 ZINC000022911030 212332769 /nfs/dbraw/zinc/33/27/69/212332769.db2.gz IPNJOYVWVQZMQS-UHFFFAOYSA-N 1 0 341.455 3.038 10 10 EGCERO CC(C)(C)c1cc(C[N@@H+]2CCNC(=O)CC2)c(O)c(C(C)(C)C)c1 ZINC000044781275 454119537 /nfs/dbraw/zinc/11/95/37/454119537.db2.gz XAUIKYWCBKMONM-UHFFFAOYSA-N 1 0 332.488 3.309 10 10 EGCERO Cc1ccc(O)c(C[N@@H+]2CCC[C@@H](C(=O)Nc3cccc(C)n3)C2)c1 ZINC000091686411 454457635 /nfs/dbraw/zinc/45/76/35/454457635.db2.gz QSORAKJYUGOKCT-MRXNPFEDSA-N 1 0 339.439 3.255 10 10 EGCERO CC[C@H]([NH2+][C@@H](Cc1ccccc1)C(=O)N(C)C)c1ccccc1O ZINC000155758940 455041591 /nfs/dbraw/zinc/04/15/91/455041591.db2.gz NLWWDDRJRZGNOS-ROUUACIJSA-N 1 0 326.440 3.132 10 10 EGCERO C[C@H]([NH2+]C1CCN(c2ncccn2)CC1)c1cc(Cl)ccc1O ZINC000185023540 455487439 /nfs/dbraw/zinc/48/74/39/455487439.db2.gz VJARFCOYPJYUIU-LBPRGKRZSA-N 1 0 332.835 3.155 10 10 EGCERO Cc1cc(O)c(C[NH2+][C@@H]2CCN(Cc3ccc(F)cc3)C2=O)cc1C ZINC000191771083 455518463 /nfs/dbraw/zinc/51/84/63/455518463.db2.gz VGUAAEODYPKCGX-GOSISDBHSA-N 1 0 342.414 3.039 10 10 EGCERO C[C@H](CC[NH2+][C@@H](C)c1cc(F)ccc1O)NC(=O)OC(C)(C)C ZINC000185980160 455667835 /nfs/dbraw/zinc/66/78/35/455667835.db2.gz TVMSHKJVCVKWLR-NEPJUHHUSA-N 1 0 326.412 3.485 10 10 EGCERO C[C@@H]([NH2+]C[C@H](O)C(F)(F)F)c1ccc(N2CCCCC2)c(F)c1 ZINC000268878552 455717057 /nfs/dbraw/zinc/71/70/57/455717057.db2.gz XBBIPZXTVGUPGA-ABAIWWIYSA-N 1 0 334.357 3.390 10 10 EGCERO C[C@H]([NH2+][C@H]1Cc2ccccc2[C@H]1O)c1cc(Br)ccc1O ZINC000248500063 455717649 /nfs/dbraw/zinc/71/76/49/455717649.db2.gz NBSQGBKEOAUEIL-GLZQIGESSA-N 1 0 348.240 3.464 10 10 EGCERO CCOc1ccc(O)c(C[NH2+][C@@H](c2cccnc2)C(C)(C)CO)c1 ZINC000293531168 455790559 /nfs/dbraw/zinc/79/05/59/455790559.db2.gz BWDWKQJTFJGYHS-SFHVURJKSA-N 1 0 330.428 3.035 10 10 EGCERO Cc1cc(N2CCC[C@@H]([NH2+][C@@H](C)c3c(C)cc(C)cc3O)C2)n(C)n1 ZINC000285279121 455817090 /nfs/dbraw/zinc/81/70/90/455817090.db2.gz REKGFWUWVIBCSG-DLBZAZTESA-N 1 0 342.487 3.371 10 10 EGCERO COC1CCN(c2ccc(C[N@H+](C)[C@@H]3CCN(C)[C@@H](C)C3)cc2)CC1 ZINC000295118267 455840499 /nfs/dbraw/zinc/84/04/99/455840499.db2.gz WJQHMBXHSIVBRV-FXAWDEMLSA-N 1 0 345.531 3.216 10 10 EGCERO COC[C@@](C)(CCO)[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000295829121 455860986 /nfs/dbraw/zinc/86/09/86/455860986.db2.gz VGPAMTHQOSWVKR-LJQANCHMSA-N 1 0 348.512 3.262 10 10 EGCERO Cc1noc(C)c1CO[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000370740306 457710200 /nfs/dbraw/zinc/71/02/00/457710200.db2.gz RXDRPAVTCXQOQI-OAHLLOKOSA-N 1 0 336.819 3.442 10 10 EGCERO C[C@H]([NH2+]C1CCN(C(=O)c2cc(Cl)c[nH]2)CC1)c1ccccc1O ZINC000376058085 458180724 /nfs/dbraw/zinc/18/07/24/458180724.db2.gz OQFVRFLKTINYAV-LBPRGKRZSA-N 1 0 347.846 3.329 10 10 EGCERO CC[C@@H]1C[C@H]1NC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000438087362 458529107 /nfs/dbraw/zinc/52/91/07/458529107.db2.gz XHQLSOMGQPFWFS-CRAIPNDOSA-N 1 0 339.483 3.323 10 10 EGCERO O=C(NCc1ccccc1C[NH+]1CCCCC1)C1=CC(=O)CS1 ZINC000731866031 575213453 /nfs/dbraw/zinc/21/34/53/575213453.db2.gz PTRCKQGPUVKRLW-UHFFFAOYSA-N 1 0 330.453 3.370 10 10 EGCERO Cc1cc(N(C)C)ccc1CNC(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000734528758 575509735 /nfs/dbraw/zinc/50/97/35/575509735.db2.gz CROOCMGFWKQESR-CALCHBBNSA-N 1 0 346.519 3.123 10 10 EGCERO COC[C@@H]1CC[N@H+](CC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)C1 ZINC000739923199 576520397 /nfs/dbraw/zinc/52/03/97/576520397.db2.gz UKJMOQNFNMSMIP-MRXNPFEDSA-N 1 0 344.430 3.384 10 10 EGCERO CCOc1ccc(O)c(C[N@@H+]2CCC[C@H](CNC(=O)C(C)(C)C)C2)c1 ZINC000093282046 1292913477 /nfs/dbraw/zinc/91/34/77/1292913477.db2.gz CWOLDKWMUKLWNW-OAHLLOKOSA-N 1 0 348.487 3.165 10 10 EGCERO Cc1cncc(/C=C/C(=O)N2C[C@@H]3CCC[N@@H+]3Cc3ccccc32)c1 ZINC000121144427 1293357783 /nfs/dbraw/zinc/35/77/83/1293357783.db2.gz XKYOLGHTAARBRA-SGQUHAKNSA-N 1 0 333.435 3.414 10 10 EGCERO CCN(CC)c1ccc(CNc2cnn(CC[NH+](C)C)c2)cc1F ZINC000152151962 1293955922 /nfs/dbraw/zinc/95/59/22/1293955922.db2.gz GBGILEFYRVAEGP-UHFFFAOYSA-N 1 0 333.455 3.042 10 10 EGCERO COc1cc(C[N@H+](C)Cc2cn(C)nc2C(F)(F)F)c(O)cc1C ZINC000160466324 1294268715 /nfs/dbraw/zinc/26/87/15/1294268715.db2.gz PMYXKNGFLOAQHI-UHFFFAOYSA-N 1 0 343.349 3.094 10 10 EGCERO COc1ccc(N2CC[C@H]([NH2+][C@@H](C)c3cccc(O)c3F)C2)cc1 ZINC000872085854 1296725996 /nfs/dbraw/zinc/72/59/96/1296725996.db2.gz RIOQUXFICRILFH-KBPBESRZSA-N 1 0 330.403 3.469 10 10 EGCERO Cc1cc(C)c([C@@H](C)[NH2+]CC2C[C@H]3CC[C@@H](C2)S3(=O)=O)c(O)c1 ZINC000872118476 1296743303 /nfs/dbraw/zinc/74/33/03/1296743303.db2.gz AKCLNSQUFBQDIE-WZYMTQMTSA-N 1 0 337.485 3.015 10 10 EGCERO CC(=O)c1ccccc1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccccc1O ZINC000879651501 1300651728 /nfs/dbraw/zinc/65/17/28/1300651728.db2.gz YNLVQMVJDBEHDO-QWHCGFSZSA-N 1 0 326.396 3.273 10 10 EGCERO Oc1ccc(Br)cc1C[NH2+]C[C@H]1CC2(CCC2)CO1 ZINC000886288559 1303422903 /nfs/dbraw/zinc/42/29/03/1303422903.db2.gz BPJIKUXJKMYJQJ-CYBMUJFWSA-N 1 0 326.234 3.204 10 10 EGCERO c1cc(C[NH2+]CC[C@@H]2CCC3(CCOCC3)CO2)cc2c1OCC2 ZINC000886300450 1303426786 /nfs/dbraw/zinc/42/67/86/1303426786.db2.gz IGDCRTYEQHQFBP-SFHVURJKSA-N 1 0 331.456 3.077 10 10 EGCERO C[C@@H]1C[C@H]([NH2+][C@@H]2c3ccccc3CN(C)C2=O)c2c1c(F)ccc2O ZINC000857875048 1328612078 /nfs/dbraw/zinc/61/20/78/1328612078.db2.gz FPRFCVDCCGMUSL-VZMUKZCBSA-N 1 0 340.398 3.383 10 10 EGCERO Cc1ccncc1/C=C/C(=O)N1C[C@H]([NH+](C)C)CCc2ccccc21 ZINC000857927520 1328629562 /nfs/dbraw/zinc/62/95/62/1328629562.db2.gz RWPMJJRELCCJRB-SINXNMPMSA-N 1 0 335.451 3.313 10 10 EGCERO CN(C)c1ccc(/C=C\C[NH2+]CC(C)(C)C(=O)N2CCCC2)cc1 ZINC000858293253 1328730764 /nfs/dbraw/zinc/73/07/64/1328730764.db2.gz SJMFJPLHGYCCJS-FPLPWBNLSA-N 1 0 329.488 3.004 10 10 EGCERO CN(C)c1ccc(C[NH2+][C@H]2CO[C@@H](C3CC3)C2)c(C(F)(F)F)c1 ZINC000858299115 1328732980 /nfs/dbraw/zinc/73/29/80/1328732980.db2.gz PKODVNZHXAQFAI-CZUORRHYSA-N 1 0 328.378 3.429 10 10 EGCERO C[C@H]([NH2+][C@H]1CCN(C2CCC2)C1=O)c1ccc(N2CCCCC2)cc1 ZINC000858602467 1328806212 /nfs/dbraw/zinc/80/62/12/1328806212.db2.gz ADKSGEHUWOMCKE-JXFKEZNVSA-N 1 0 341.499 3.481 10 10 EGCERO Cn1cc(C[C@@H]2CCC[C@H]2[NH2+]Cc2ccc3c(c2)CCCO3)cn1 ZINC000922254258 1322488324 /nfs/dbraw/zinc/48/83/24/1322488324.db2.gz MZZHENWJZXYOHH-PKOBYXMFSA-N 1 0 325.456 3.246 10 10 EGCERO CCN(CC)c1ccc(C[NH2+]C[C@@H]2CCC3(CCOCC3)O2)cc1 ZINC000922812437 1322624787 /nfs/dbraw/zinc/62/47/87/1322624787.db2.gz RVCQATKMUVLQLL-IBGZPJMESA-N 1 0 332.488 3.351 10 10 EGCERO Fc1cc(C[NH2+]C[C@H]2CCCC3(CCC3)O2)ccc1N1CCOCC1 ZINC000922814583 1322625583 /nfs/dbraw/zinc/62/55/83/1322625583.db2.gz YJBNNZWMDGGENF-QGZVFWFLSA-N 1 0 348.462 3.244 10 10 EGCERO CN(C)c1ccc(C[NH2+]Cc2cncc(O)c2)c(C(F)(F)F)c1 ZINC000922976121 1322666520 /nfs/dbraw/zinc/66/65/20/1322666520.db2.gz RJOWHXDSSJRVHV-UHFFFAOYSA-N 1 0 325.334 3.162 10 10 EGCERO COC[C@]1(C)C[N@H+](Cc2ccc(N3CCCCC3)c(C)c2)CCO1 ZINC000860202085 1329172516 /nfs/dbraw/zinc/17/25/16/1329172516.db2.gz OHFZJLVHUWPZGI-FQEVSTJZSA-N 1 0 332.488 3.223 10 10 EGCERO CC[C@@H]([NH2+]CCN1CCC([NH3+])CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000925809849 1325311032 /nfs/dbraw/zinc/31/10/32/1325311032.db2.gz AXIYOIMCWMGKKE-CQSZACIVSA-N 1 0 346.302 3.163 10 10 EGCERO COc1ccc(N2CC[C@@H](C[NH2+]C3CC4(C3)COC(C)(C)C4)C2)cc1 ZINC000926612412 1327634217 /nfs/dbraw/zinc/63/42/17/1327634217.db2.gz PVFSKPZUKGPZLC-BQJIDLTASA-N 1 0 344.499 3.459 10 10 EGCERO COc1ccc(N2CC[C@H]([NH2+][C@H]3CCCc4oc(C)nc43)C2)cc1 ZINC000926680446 1327663578 /nfs/dbraw/zinc/66/35/78/1327663578.db2.gz OKWXMTTWJMFDTN-YOEHRIQHSA-N 1 0 327.428 3.238 10 10 EGCERO CN(C)c1cc(F)c(CN2CCC(C[NH+]3CCCC3)CC2)cc1F ZINC000862220809 1329466988 /nfs/dbraw/zinc/46/69/88/1329466988.db2.gz QFHNZYIFZRPRFX-UHFFFAOYSA-N 1 0 337.458 3.339 10 10 EGCERO C[C@@H]1C[C@H](N(C)Cc2c(O)cccc2Br)CC[N@@H+]1C ZINC000862248594 1329470884 /nfs/dbraw/zinc/47/08/84/1329470884.db2.gz NNSCHSCZUZXNJW-VXGBXAGGSA-N 1 0 327.266 3.069 10 10 EGCERO COCC1(C2CCC2)C[NH+](Cc2c(O)cccc2Br)C1 ZINC000862412655 1329484184 /nfs/dbraw/zinc/48/41/84/1329484184.db2.gz RWXAPRNSVCBECQ-UHFFFAOYSA-N 1 0 340.261 3.403 10 10 EGCERO Cc1cc(=O)[nH]c(C(C)(C)[NH2+]C/C=C/c2ccc(N(C)C)cc2)n1 ZINC000862432537 1329486344 /nfs/dbraw/zinc/48/63/44/1329486344.db2.gz HMVGAUWBDVGRNF-VOTSOKGWSA-N 1 0 326.444 3.095 10 10 EGCERO Cc1cc(C2([NH2+]Cc3cc(Cl)cc(C)c3O)CCOCC2)on1 ZINC000862542225 1329494701 /nfs/dbraw/zinc/49/47/01/1329494701.db2.gz IVIGQLOVEOZSPV-UHFFFAOYSA-N 1 0 336.819 3.446 10 10 EGCERO CC[C@@H]([NH2+]CC1([NH3+])CCOCC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000863541868 1329561989 /nfs/dbraw/zinc/56/19/89/1329561989.db2.gz QGHNMPIEIBYPFK-GFCCVEGCSA-N 1 0 333.259 3.248 10 10 EGCERO OC[C@H]([NH2+]Cc1ccc2c(c1)CCO2)c1cccc(C(F)(F)F)c1 ZINC000865654623 1329725725 /nfs/dbraw/zinc/72/57/25/1329725725.db2.gz SNJMVQDYXUZBQK-INIZCTEOSA-N 1 0 337.341 3.464 10 10 EGCERO CCOC(=O)c1cc(C[NH2+][C@H](C)c2cc(Cl)cc(C)c2O)on1 ZINC000866517196 1330120862 /nfs/dbraw/zinc/12/08/62/1330120862.db2.gz YDCMIVSPQJFQHU-SNVBAGLBSA-N 1 0 338.791 3.370 10 10 EGCERO COc1ccc(C[NH2+]C[C@@H](NC(=O)CC2(C)CC2)C2CC2)cc1C ZINC001323034189 1387271061 /nfs/dbraw/zinc/27/10/61/1387271061.db2.gz BRQCAVUOELKQOJ-QGZVFWFLSA-N 1 0 330.472 3.178 10 10 EGCERO CC(C)[C@]1(C)C[C@H]1C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001134686141 1376658709 /nfs/dbraw/zinc/65/87/09/1376658709.db2.gz BCOVXFRLXQPHEE-NSHGMRRFSA-N 1 0 331.504 3.154 10 10 EGCERO COc1ccc(C[NH2+]CCN(C)C(=O)c2ccc(F)cc2)cc1C ZINC001266627431 1377350435 /nfs/dbraw/zinc/35/04/35/1377350435.db2.gz ZFMQKDOXRIEGMY-UHFFFAOYSA-N 1 0 330.403 3.005 10 10 EGCERO CN(C)c1ccc(CN(C(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)C2CC2)cc1 ZINC001141506186 1378336093 /nfs/dbraw/zinc/33/60/93/1378336093.db2.gz STRIOWDADNUCHZ-YLJYHZDGSA-N 1 0 343.515 3.364 10 10 EGCERO C[NH+](C)CCc1cccc(C(=O)NCc2cc(Cl)ccc2O)c1 ZINC001146233249 1378801047 /nfs/dbraw/zinc/80/10/47/1378801047.db2.gz RSCZGNPGYLZWQO-UHFFFAOYSA-N 1 0 332.831 3.080 10 10 EGCERO COc1ccc(N2CC[C@@H]([NH2+]Cc3ccc(F)c(OC)c3)C2)cc1 ZINC001327793718 1388596852 /nfs/dbraw/zinc/59/68/52/1388596852.db2.gz VIVNPYWROPKQDT-OAHLLOKOSA-N 1 0 330.403 3.211 10 10 EGCERO Cc1ccc(C)n1-c1ccsc1C(=O)N[C@H]1C[N@@H+](C)CC1(C)C ZINC001156589629 1380597228 /nfs/dbraw/zinc/59/72/28/1380597228.db2.gz FYAHIEDKLJEQTD-HNNXBMFYSA-N 1 0 331.485 3.226 10 10 EGCERO CCCC[C@H](CC)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001288329583 1381780463 /nfs/dbraw/zinc/78/04/63/1381780463.db2.gz CLXRUJRKZIWPTR-SFHVURJKSA-N 1 0 331.504 3.271 10 10 EGCERO Cc1cc(C[N@H+]2Cc3cccnc3N3CCC[C@@H]3C2)ccc1N(C)C ZINC001308019135 1384075270 /nfs/dbraw/zinc/07/52/70/1384075270.db2.gz XGWMVDCBGKRAPQ-LJQANCHMSA-N 1 0 336.483 3.441 10 10 EGCERO CCN(C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C)[C@@H](C)C(C)C ZINC001313420774 1384417292 /nfs/dbraw/zinc/41/72/92/1384417292.db2.gz YVHBHKVWNAUOJK-LPHOPBHVSA-N 1 0 348.535 3.431 10 10 EGCERO COc1ccc(C[NH2+]C[C@@H](C)CNC(=O)C2CC3(CCC3)C2)cc1C ZINC001319229924 1386015698 /nfs/dbraw/zinc/01/56/98/1386015698.db2.gz QSQVLKFLIKJQMF-OAHLLOKOSA-N 1 0 344.499 3.426 10 10 EGCERO COc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]2CC23CCC3)cc1C ZINC001319541132 1386169925 /nfs/dbraw/zinc/16/99/25/1386169925.db2.gz QPUAAFWNDSUJGH-WBVHZDCISA-N 1 0 330.472 3.130 10 10 EGCERO COc1ccc(C[NH2+]C/C=C/CNC(=O)C2(F)CCCC2)cc1C ZINC001321125940 1386817178 /nfs/dbraw/zinc/81/71/78/1386817178.db2.gz MICSKWHQPNHVGX-AATRIKPKSA-N 1 0 334.435 3.048 10 10 EGCERO CC[N@H+](C)[C@H]1CCN(C(=O)Cc2cc(C)n(-c3ccccc3)c2C)C1 ZINC001181837978 1387062958 /nfs/dbraw/zinc/06/29/58/1387062958.db2.gz AJAPXXQQTIUPJQ-FQEVSTJZSA-N 1 0 339.483 3.189 10 10 EGCERO COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)C2(CF)CCC2)cc1C ZINC001331559038 1389798663 /nfs/dbraw/zinc/79/86/63/1389798663.db2.gz CXVNRPSAGLUNTN-HNNXBMFYSA-N 1 0 336.451 3.080 10 10 EGCERO COc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CC[C@@H](OC)C2)c1O ZINC001332947335 1390221558 /nfs/dbraw/zinc/22/15/58/1390221558.db2.gz WVJVAHFWIVDMHU-MVWJERBFSA-N 1 0 344.249 3.381 10 10 EGCERO CN(C)c1ccc([C@H](CNC(=O)N(C)C[C@@H]2CC2(C)C)[NH+](C)C)cc1 ZINC001479532832 1392272357 /nfs/dbraw/zinc/27/23/57/1392272357.db2.gz DIUPIFGEAOKXJK-WMZOPIPTSA-N 1 0 346.519 3.043 10 10 EGCERO COc1ccc(C[NH2+][C@@H](C)CNC(=O)[C@@H](C)C2CCCC2)cc1C ZINC001480570424 1392795830 /nfs/dbraw/zinc/79/58/30/1392795830.db2.gz RXGNJWFTESPEAC-HOTGVXAUSA-N 1 0 332.488 3.424 10 10 EGCERO COc1ccc(C[NH2+][C@@H](C)CCNC(=O)C[C@@H]2C=CCC2)cc1C ZINC001480747400 1392911669 /nfs/dbraw/zinc/91/16/69/1392911669.db2.gz OFJSJTZRYSALQL-DLBZAZTESA-N 1 0 330.472 3.344 10 10 EGCERO COc1ccc(C[NH2+][C@H](C)CCNC(=O)[C@@H](C)C(F)(F)F)cc1C ZINC001480785650 1392931804 /nfs/dbraw/zinc/93/18/04/1392931804.db2.gz MLVVUPYMVRPVNE-CHWSQXEVSA-N 1 0 346.393 3.186 10 10 EGCERO COc1ccc(C[NH2+][C@@H](CNC(=O)[C@@H](C)C(C)C)C2CC2)cc1C ZINC001490715663 1394304214 /nfs/dbraw/zinc/30/42/14/1394304214.db2.gz BKOLJKPXOIZDLC-YJBOKZPZSA-N 1 0 332.488 3.280 10 10 EGCERO CC[C@H](CNC(=O)c1scnc1C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001481791397 1394532143 /nfs/dbraw/zinc/53/21/43/1394532143.db2.gz COGKSZOPRSEMDN-OAHLLOKOSA-N 1 0 347.484 3.067 10 10 EGCERO CC[C@@H](CNC(=O)C1(F)CCCC1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001481827752 1394548249 /nfs/dbraw/zinc/54/82/49/1394548249.db2.gz IVKKPJWNEGOVKV-INIZCTEOSA-N 1 0 336.451 3.270 10 10 EGCERO COc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)CCC(C)(F)F)cc1C ZINC001482300313 1394876187 /nfs/dbraw/zinc/87/61/87/1394876187.db2.gz BIYSLWIOGUPBRL-CQSZACIVSA-N 1 0 342.430 3.376 10 10 EGCERO COc1ccc(C[NH2+][C@H](C)CCNC(=O)[C@@H](C)c2ccco2)cc1C ZINC001492082276 1396303054 /nfs/dbraw/zinc/30/30/54/1396303054.db2.gz ADALTCWAKGWVOX-CVEARBPZSA-N 1 0 344.455 3.385 10 10 EGCERO CCCC[NH2+][C@@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@@H]1C ZINC001496373125 1396674058 /nfs/dbraw/zinc/67/40/58/1396674058.db2.gz CKTUQPDJBOPRIO-XJKSGUPXSA-N 1 0 345.447 3.089 10 10 EGCERO COc1ccc(C[NH2+][C@H]2C[C@@H](CNC(=O)CC3(C)CC3)C2)cc1C ZINC001691453365 1405278581 /nfs/dbraw/zinc/27/85/81/1405278581.db2.gz ZNKZQLZKSLHDGX-CALCHBBNSA-N 1 0 330.472 3.178 10 10 EGCERO CC[C@@H](CNC(=O)c1cccc(F)c1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001732193645 1428445096 /nfs/dbraw/zinc/44/50/96/1428445096.db2.gz XIKXYSGWVBTTCZ-SFHVURJKSA-N 1 0 344.430 3.441 10 10 EGCERO COc1ccc(C[NH2+]C[C@](C)(NC(=O)[C@@H]2C[C@H]2C)C2CC2)cc1C ZINC001732249678 1428491805 /nfs/dbraw/zinc/49/18/05/1428491805.db2.gz ZWKHQXHNWDUTJW-DUXSXAKTSA-N 1 0 330.472 3.034 10 10 EGCERO COc1ccc(C[NH2+]C[C@H](C)CNC(=O)[C@@]23C[C@@H]2CCCC3)cc1C ZINC001732360072 1428547844 /nfs/dbraw/zinc/54/78/44/1428547844.db2.gz HWMOJWKYFIDZFP-XERREHJYSA-N 1 0 344.499 3.426 10 10 EGCERO COc1ccc(C[NH2+]CC[C@@H](C)NC(=O)CCC(F)(F)F)cc1C ZINC001699092601 1412506498 /nfs/dbraw/zinc/50/64/98/1412506498.db2.gz BZKISWJGISZKEA-CYBMUJFWSA-N 1 0 346.393 3.331 10 10 EGCERO COc1ccc(C[NH2+]C[C@H](C)NC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)cc1C ZINC001699400051 1412714030 /nfs/dbraw/zinc/71/40/30/1412714030.db2.gz XFXWWBJBDHVYKN-ITQYTPKQSA-N 1 0 330.472 3.034 10 10 EGCERO COc1ccc(C[NH2+]C[C@@H](NC(=O)[C@@H]2C[C@H]2C)C2CCCC2)cc1C ZINC001699794984 1413203114 /nfs/dbraw/zinc/20/31/14/1413203114.db2.gz DTZUUDGTTOEPQG-NIKGAXFTSA-N 1 0 344.499 3.424 10 10 EGCERO COc1ccc(C[NH2+]C[C@H]2C[C@H](NC(=O)CC(C)(F)F)C2)cc1C ZINC001700638219 1414304728 /nfs/dbraw/zinc/30/47/28/1414304728.db2.gz NUPAIAWUQBIKLB-SHTZXODSSA-N 1 0 340.414 3.033 10 10 EGCERO COc1ccc(C[NH2+]C[C@H]2CCC[C@H]2NC(=O)C=C(C)C)cc1C ZINC001732611412 1428872080 /nfs/dbraw/zinc/87/20/80/1428872080.db2.gz WDACMWARNDMLAR-QZTJIDSGSA-N 1 0 330.472 3.344 10 10 EGCERO COc1ccc(C[NH2+]CC[C@H](C)NC(=O)c2scnc2C)cc1C ZINC001732674877 1428903038 /nfs/dbraw/zinc/90/30/38/1428903038.db2.gz CEJCQKCTAQGVPI-ZDUSSCGKSA-N 1 0 347.484 3.067 10 10 EGCERO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)c2ccc(F)c(F)c2)cc1C ZINC001732958114 1429082212 /nfs/dbraw/zinc/08/22/12/1429082212.db2.gz LPLZOMCGPNMUBI-CYBMUJFWSA-N 1 0 348.393 3.190 10 10 EGCERO COc1ccc(C[NH2+]C[C@H](C)NC(=O)c2cc(F)ccc2C)cc1C ZINC001733006457 1429126884 /nfs/dbraw/zinc/12/68/84/1429126884.db2.gz DKJCSAABNOFOJO-HNNXBMFYSA-N 1 0 344.430 3.359 10 10 EGCERO COc1ccc(C[NH2+][C@@H](CNC(=O)C2CC(C)C2)C2CC2)cc1C ZINC001713108320 1417669479 /nfs/dbraw/zinc/66/94/79/1417669479.db2.gz QDJDDZHHOFANFI-SYGMWZTRSA-N 1 0 330.472 3.034 10 10 EGCERO COc1ccc(C[NH2+][C@H](C)CNC(=O)[C@@]2(C)CC=CCC2)cc1C ZINC001714238342 1419028229 /nfs/dbraw/zinc/02/82/29/1419028229.db2.gz PZTCZYWQAKJVEZ-UZLBHIALSA-N 1 0 330.472 3.344 10 10 EGCERO COc1ccc(C[NH2+][C@@H](C)CNC(=O)c2cc(F)cc(F)c2)cc1C ZINC001714299179 1419078288 /nfs/dbraw/zinc/07/82/88/1419078288.db2.gz DYPDJNLMMCRZLN-ZDUSSCGKSA-N 1 0 348.393 3.190 10 10 EGCERO COc1ccc(C[NH2+][C@@H](CNC(=O)C2CC3(CC3)C2)C(C)C)cc1C ZINC001715503231 1420186419 /nfs/dbraw/zinc/18/64/19/1420186419.db2.gz RVYMUYLRIKLXJK-SFHVURJKSA-N 1 0 344.499 3.424 10 10 EGCERO COc1ccc(C[NH2+][C@H](CNC(=O)c2cncs2)C(C)C)cc1C ZINC001715529087 1420218918 /nfs/dbraw/zinc/21/89/18/1420218918.db2.gz UAFVPNQSPGLARM-OAHLLOKOSA-N 1 0 347.484 3.004 10 10 EGCERO COc1ccc(C[NH2+]C2(CNC(=O)[C@@H](C)c3ccco3)CC2)cc1C ZINC001733255036 1429405167 /nfs/dbraw/zinc/40/51/67/1429405167.db2.gz CBGZWEDKJJYXSY-HNNXBMFYSA-N 1 0 342.439 3.139 10 10 EGCERO CCC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001722958244 1424280093 /nfs/dbraw/zinc/28/00/93/1424280093.db2.gz WJPYSMLWMWRWHB-ZBFHGGJFSA-N 1 0 345.447 3.137 10 10 EGCERO CCCCC[NH2+][C@@H](C)[C@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001725129265 1425597607 /nfs/dbraw/zinc/59/76/07/1425597607.db2.gz NZWWUMZQYBIGHL-STQMWFEESA-N 1 0 333.436 3.136 10 10 EGCERO COc1ccc(C[NH2+]C[C@@H](C2CC2)N(C)C(=O)[C@H]2CC23CC3)cc1C ZINC001725466479 1426134796 /nfs/dbraw/zinc/13/47/96/1426134796.db2.gz HYHUZNIAZIAICM-MSOLQXFVSA-N 1 0 342.483 3.130 10 10 EGCERO COc1ccc(C[NH2+][C@@H](C)CNC(=O)CCc2ccccc2)cc1C ZINC001731630572 1427682531 /nfs/dbraw/zinc/68/25/31/1427682531.db2.gz HHGMEOPUQKIZSN-KRWDZBQOSA-N 1 0 340.467 3.231 10 10 EGCERO COc1ccc(C[NH2+][C@H](C)[C@H](C)NC(=O)c2cnc(C)s2)cc1C ZINC001733961828 1437767283 /nfs/dbraw/zinc/76/72/83/1437767283.db2.gz BLPQDXPMRQGOHB-OLZOCXBDSA-N 1 0 347.484 3.065 10 10 EGCERO COc1ccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)c2cocc2C)cc1C ZINC001733991415 1437786628 /nfs/dbraw/zinc/78/66/28/1437786628.db2.gz GBZBHYXQIFOBDL-HUUCEWRRSA-N 1 0 330.428 3.202 10 10 EGCERO O=C1CCC2(CC[NH+](Cc3c(O)ccc4ccccc43)CC2)CCN1 ZINC000067654535 215174994 /nfs/dbraw/zinc/17/49/94/215174994.db2.gz FVJDDEPJVRVRMS-UHFFFAOYSA-N 1 0 338.451 3.428 10 10 EGCERO CCN(CC)c1ccc(C[N@@H+]2CCO[C@@H]3CC[C@@H](OC)C[C@H]32)cc1 ZINC000245693942 455357735 /nfs/dbraw/zinc/35/77/35/455357735.db2.gz AZFRTJRKENSNCL-VAMGGRTRSA-N 1 0 332.488 3.301 10 10 EGCERO CCOc1cccc(C[N@@H+]2CCC[C@H]2c2c(C)nn(C)c2C)c1O ZINC000122765643 454567086 /nfs/dbraw/zinc/56/70/86/454567086.db2.gz NLTHVEPCTJQPJH-INIZCTEOSA-N 1 0 329.444 3.478 10 10 EGCERO CCOc1cccc(C[N@@H+]2CC[C@@H](CNc3ccccn3)C2)c1O ZINC000092812619 454637836 /nfs/dbraw/zinc/63/78/36/454637836.db2.gz GOEYYWVYBLTSJZ-HNNXBMFYSA-N 1 0 327.428 3.120 10 10 EGCERO Cc1occc1C(=O)NC1CC[NH+](Cc2ccc(N(C)C)cc2)CC1 ZINC000093009732 454670040 /nfs/dbraw/zinc/67/00/40/454670040.db2.gz VDNWGYMQYDXBCG-UHFFFAOYSA-N 1 0 341.455 3.048 10 10 EGCERO O[C@]1(C(F)(F)F)CC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000093611557 454723883 /nfs/dbraw/zinc/72/38/83/454723883.db2.gz WHXDDUYAVQRDJX-MRXNPFEDSA-N 1 0 328.378 3.176 10 10 EGCERO Oc1cc2c(cc1C[N@H+]1CCC[C@@H]1C[C@H](O)c1ccccc1)OCO2 ZINC000093868386 454743344 /nfs/dbraw/zinc/74/33/44/454743344.db2.gz XZQAUMQJXCVJLT-SJORKVTESA-N 1 0 341.407 3.209 10 10 EGCERO CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+](Cc2ccccc2O)C1 ZINC000180204772 455147706 /nfs/dbraw/zinc/14/77/06/455147706.db2.gz WJYWSPCANULSLH-CQSZACIVSA-N 1 0 344.377 3.015 10 10 EGCERO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)c2ccc(-n3cncn3)cc2)c1 ZINC000184884848 455466736 /nfs/dbraw/zinc/46/67/36/455466736.db2.gz YETLOGCYWVAXQZ-KGLIPLIRSA-N 1 0 338.411 3.393 10 10 EGCERO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCN(c3ccccc3OC)C2)c1 ZINC000185712037 455603204 /nfs/dbraw/zinc/60/32/04/455603204.db2.gz JKEROYGRALJLNP-LSDHHAIUSA-N 1 0 342.439 3.339 10 10 EGCERO C[C@H](CC[NH2+][C@H](C)c1cc(F)ccc1O)NC(=O)OC(C)(C)C ZINC000185980195 455667688 /nfs/dbraw/zinc/66/76/88/455667688.db2.gz TVMSHKJVCVKWLR-VXGBXAGGSA-N 1 0 326.412 3.485 10 10 EGCERO Cc1nc2n(n1)CCC[C@H]2[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000186096850 455693317 /nfs/dbraw/zinc/69/33/17/455693317.db2.gz WALQAHQNRZZTQD-YVEFUNNKSA-N 1 0 326.444 3.357 10 10 EGCERO C[C@H]([NH2+][C@H]1c2ccccc2C[C@H]1O)c1cc(Br)ccc1O ZINC000248494596 455716705 /nfs/dbraw/zinc/71/67/05/455716705.db2.gz KNAWFDPDMVQYPT-HKJPBSJPSA-N 1 0 348.240 3.464 10 10 EGCERO COC1CCN(c2ccc(C[N@@H+]3CCC[C@@H]3c3cc[nH]n3)cc2)CC1 ZINC000295913159 455863126 /nfs/dbraw/zinc/86/31/26/455863126.db2.gz FUXYXMXRMXVZEK-HXUWFJFHSA-N 1 0 340.471 3.362 10 10 EGCERO CC[C@H]([NH2+]CCS(=O)(=O)c1ccccc1)c1ccc(C)cc1O ZINC000280001726 455880450 /nfs/dbraw/zinc/88/04/50/455880450.db2.gz FZTKKLFCCFUCMY-KRWDZBQOSA-N 1 0 333.453 3.215 10 10 EGCERO Cc1cc(C[NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)cs1 ZINC000296349987 455915652 /nfs/dbraw/zinc/91/56/52/455915652.db2.gz IYTZSIBABQASKK-UHFFFAOYSA-N 1 0 334.460 3.447 10 10 EGCERO CC[C@H]([NH2+][C@H](C)c1ccc(Br)cc1O)[C@H](O)C(F)F ZINC000296563013 455974841 /nfs/dbraw/zinc/97/48/41/455974841.db2.gz SJSPWQSWDOGSJD-VHRDEZTHSA-N 1 0 338.192 3.210 10 10 EGCERO COc1cc(O)c(C[NH2+][C@@H]2CCOc3c(C)cccc32)cc1OC ZINC000188010954 455979572 /nfs/dbraw/zinc/97/95/72/455979572.db2.gz SBHZTTCZVVZLNW-OAHLLOKOSA-N 1 0 329.396 3.331 10 10 EGCERO CC[C@@H]([NH2+][C@H]1CCN(Cc2ccc(F)cc2)C1=O)c1ccccc1O ZINC000189033922 456206983 /nfs/dbraw/zinc/20/69/83/456206983.db2.gz ZIFCFPZDRUOKEF-MSOLQXFVSA-N 1 0 342.414 3.373 10 10 EGCERO COc1ccc(O)c(C[N@@H+]2CCC[C@H](c3ncc4n3CCCC4)C2)c1 ZINC000282813006 456633202 /nfs/dbraw/zinc/63/32/02/456633202.db2.gz SSHPTHXEQWSGIP-HNNXBMFYSA-N 1 0 341.455 3.313 10 10 EGCERO CCOCc1cc(C[NH2+][C@@H]2CCCc3nn(C)cc32)ccc1OC ZINC000283080687 456706494 /nfs/dbraw/zinc/70/64/94/456706494.db2.gz VPHNBERTVXZKQY-QGZVFWFLSA-N 1 0 329.444 3.132 10 10 EGCERO CC(=O)c1cc(F)cc(C[NH2+][C@@H]2CCN(C)[C@@H]2c2ccccc2)c1O ZINC000375063148 457776141 /nfs/dbraw/zinc/77/61/41/457776141.db2.gz CKRGRMASQOLXCD-RTBURBONSA-N 1 0 342.414 3.269 10 10 EGCERO COCC[C@@H]1CCCC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000375106483 457794656 /nfs/dbraw/zinc/79/46/56/457794656.db2.gz VCARIRJPSRVOFJ-SFHVURJKSA-N 1 0 332.488 3.162 10 10 EGCERO C[C@@H]1C[C@@]2(CCO1)C[N@@H+](Cc1ccc(N(C)C)c(F)c1)C[C@H](C)O2 ZINC000366790429 457899657 /nfs/dbraw/zinc/89/96/57/457899657.db2.gz ARQYQECWQHVOEE-VCBZYWHSSA-N 1 0 336.451 3.050 10 10 EGCERO Cc1noc(C)c1CO[C@H]1CC[N@H+](Cc2cc(C)c(C)cc2O)C1 ZINC000368358774 458030223 /nfs/dbraw/zinc/03/02/23/458030223.db2.gz YEHRJXCJEKYCBQ-KRWDZBQOSA-N 1 0 330.428 3.405 10 10 EGCERO Cc1cc(Br)cc(C[N@@H+]2CCC23CCOCC3)c1O ZINC000375735182 458042610 /nfs/dbraw/zinc/04/26/10/458042610.db2.gz XOJGQINXPDBXHV-UHFFFAOYSA-N 1 0 326.234 3.218 10 10 EGCERO CCOc1ccc(O)c(C[NH2+][C@H]2CCc3cnn(C(C)C)c3C2)c1 ZINC000372772824 458331924 /nfs/dbraw/zinc/33/19/24/458331924.db2.gz NNFVLEGQIOHNIW-INIZCTEOSA-N 1 0 329.444 3.215 10 10 EGCERO Oc1ccc(F)cc1C[NH2+]C1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000373481584 458505227 /nfs/dbraw/zinc/50/52/27/458505227.db2.gz FJEBKWKMRJNBID-UHFFFAOYSA-N 1 0 346.368 3.426 10 10 EGCERO C[C@@H]1C[C@H]([NH2+]CC(C)(C)C(=O)N2CCCC2)c2c1c(F)ccc2O ZINC000528015727 459796472 /nfs/dbraw/zinc/79/64/72/459796472.db2.gz MNBUDVUDUJBOEJ-OCCSQVGLSA-N 1 0 334.435 3.318 10 10 EGCERO Cc1cc(Br)cc(C[NH2+][C@H]2[C@@H](C)[C@@H](C)O[C@H]2C)c1O ZINC000529669762 459833411 /nfs/dbraw/zinc/83/34/11/459833411.db2.gz PDODCIFASHSECU-MIJXAVMKSA-N 1 0 328.250 3.365 10 10 EGCERO CC[N@@H+]1CC[C@@H](CNC(=O)c2cc(C)ccc2-n2c(C)ccc2C)C1 ZINC000730937397 575037761 /nfs/dbraw/zinc/03/77/61/575037761.db2.gz SNCRIPJQDPCSGO-SFHVURJKSA-N 1 0 339.483 3.474 10 10 EGCERO Cc1ccc(C)n1-c1ccsc1C(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000732165058 575241447 /nfs/dbraw/zinc/24/14/47/575241447.db2.gz CGYVVPPGUVVPIO-MRXNPFEDSA-N 1 0 343.496 3.464 10 10 EGCERO Cc1cc(Br)cc(CN2CC[N@@H+]3CCCC[C@@H]3C2)c1O ZINC000158030679 1294194413 /nfs/dbraw/zinc/19/44/13/1294194413.db2.gz RVTZNEPGIWPYBF-OAHLLOKOSA-N 1 0 339.277 3.133 10 10 EGCERO COc1ccccc1OCC[N@H+](C)Cc1cc(C)cc(OC)c1O ZINC000164192301 1294345520 /nfs/dbraw/zinc/34/55/20/1294345520.db2.gz UGSNAWIBRLYCSW-UHFFFAOYSA-N 1 0 331.412 3.229 10 10 EGCERO COc1cc(C)cc(C[N@@H+]2CCC[C@@H](CNC(=O)C(C)(C)C)C2)c1O ZINC000164328891 1294346681 /nfs/dbraw/zinc/34/66/81/1294346681.db2.gz HHTZMURBJQIFRU-HNNXBMFYSA-N 1 0 348.487 3.084 10 10 EGCERO O=C([C@@H]1CCCC[N@@H+]1Cc1ccccc1)N1Cc2cccc(O)c2C1 ZINC000871203260 1296271947 /nfs/dbraw/zinc/27/19/47/1296271947.db2.gz VMUCGKGAQWWNSX-IBGZPJMESA-N 1 0 336.435 3.289 10 10 EGCERO C[C@@H]1[C@H](C)OC[C@]12CC[C@@H](C[NH2+]Cc1cc(Cl)ccc1O)O2 ZINC000886340506 1303442308 /nfs/dbraw/zinc/44/23/08/1303442308.db2.gz HUPZPCOTUBIUIE-PZNPJNSTSA-N 1 0 325.836 3.108 10 10 EGCERO CC(C)[C@H](C)NC(=O)C1CC[NH+](Cc2cc(F)cc(F)c2[O-])CC1 ZINC000893987284 1306165147 /nfs/dbraw/zinc/16/51/47/1306165147.db2.gz QJUHHSBNZPOKTP-LBPRGKRZSA-N 1 0 340.414 3.043 10 10 EGCERO Oc1cc(Br)ccc1C[N@@H+]1CC[C@H]([C@H]2CCCO2)C1 ZINC000895845960 1309555782 /nfs/dbraw/zinc/55/57/82/1309555782.db2.gz SEAZPUUUXRCABD-SWLSCSKDSA-N 1 0 326.234 3.156 10 10 EGCERO Oc1cccc(Br)c1C[NH2+]CC1(C2(O)CCC2)CCC1 ZINC000895869414 1309571781 /nfs/dbraw/zinc/57/17/81/1309571781.db2.gz YEVZFUOTDSCREW-UHFFFAOYSA-N 1 0 340.261 3.330 10 10 EGCERO CCC[NH+]1CCC(CNC(=O)c2cc3cc(O)c(O)cc3s2)CC1 ZINC000896022433 1309656637 /nfs/dbraw/zinc/65/66/37/1309656637.db2.gz VLFBEHMPARDVDM-UHFFFAOYSA-N 1 0 348.468 3.164 10 10 EGCERO C[C@H]([NH2+][C@@H]1c2ccccc2CN(C)C1=O)c1ccc(Cl)cc1O ZINC000857877004 1328612993 /nfs/dbraw/zinc/61/29/93/1328612993.db2.gz LDBBYCJQLBFBGV-APPDUMDISA-N 1 0 330.815 3.410 10 10 EGCERO Cc1cc(C[NH2+]Cc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)ccn1 ZINC000858101026 1328682590 /nfs/dbraw/zinc/68/25/90/1328682590.db2.gz XBWZRJDVPUVXEH-HOTGVXAUSA-N 1 0 343.446 3.433 10 10 EGCERO COc1ccc(N2CC[NH+](CCSc3ccncc3)CC2)cc1F ZINC000929824542 1328711869 /nfs/dbraw/zinc/71/18/69/1328711869.db2.gz WSTBOEUXZAGXSI-UHFFFAOYSA-N 1 0 347.459 3.144 10 10 EGCERO CN(Cc1cccs1)c1ccc(C[NH2+]C[C@H](O)[C@@H]2CCCO2)cc1 ZINC000858226693 1328715965 /nfs/dbraw/zinc/71/59/65/1328715965.db2.gz QECMJRLSUOXJLF-OALUTQOASA-N 1 0 346.496 3.014 10 10 EGCERO COC(=O)C1=CC[C@@H]([NH2+][C@H](C)c2ccc(Br)cc2O)C1 ZINC000858473504 1328771022 /nfs/dbraw/zinc/77/10/22/1328771022.db2.gz OXKBMHUEEIFTKX-BXKDBHETSA-N 1 0 340.217 3.067 10 10 EGCERO C[C@H]([NH2+][C@H]1CO[C@@H](C2CC2)C1)c1cc(Br)ccc1O ZINC000858548942 1328792738 /nfs/dbraw/zinc/79/27/38/1328792738.db2.gz XOBIMQKRLPWXOU-TURKWSHLSA-N 1 0 326.234 3.373 10 10 EGCERO COC(=O)c1cc2ccccc2c(C[N@@H+]2CCCSCC2)c1O ZINC000917462262 1319814931 /nfs/dbraw/zinc/81/49/31/1319814931.db2.gz LWMIRQABFWBTDB-UHFFFAOYSA-N 1 0 331.437 3.271 10 10 EGCERO Oc1ccccc1C[N@H+](CCOC1CCOCC1)Cc1ccco1 ZINC000859190328 1328940993 /nfs/dbraw/zinc/94/09/93/1328940993.db2.gz JSHXEVMFBDBMRK-UHFFFAOYSA-N 1 0 331.412 3.183 10 10 EGCERO CCCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](Cc2cc3c(cc2O)CCC3)C1 ZINC000921054044 1322249488 /nfs/dbraw/zinc/24/94/88/1322249488.db2.gz SEGMQEYMITXFEV-QAPCUYQASA-N 1 0 344.499 3.398 10 10 EGCERO COc1ccc(C[NH2+]C[C@@H]2C[C@H]2C(F)(F)F)cc1Cn1cccn1 ZINC000922728281 1322604762 /nfs/dbraw/zinc/60/47/62/1322604762.db2.gz ONAQSWAVYNSYOR-DZGCQCFKSA-N 1 0 339.361 3.228 10 10 EGCERO c1cc(N2CCOCC2)ccc1C[NH2+]CC[C@H]1CCC2(CCC2)O1 ZINC000922967424 1322665267 /nfs/dbraw/zinc/66/52/67/1322665267.db2.gz IALBDCHILBGZFC-LJQANCHMSA-N 1 0 330.472 3.105 10 10 EGCERO CN(C)c1ccc(/C=C/C[NH2+][C@H]2C[C@@](CO)(c3ccccc3)C2)cc1 ZINC000923007546 1322673048 /nfs/dbraw/zinc/67/30/48/1322673048.db2.gz SQHHFZFXQCHGLE-HCSHBEEISA-N 1 0 336.479 3.448 10 10 EGCERO Oc1cccc(Br)c1C[NH2+]C1([C@@H]2CCCCO2)CC1 ZINC000923027848 1322677911 /nfs/dbraw/zinc/67/79/11/1322677911.db2.gz JUBNFXLGTUBRQR-AWEZNQCLSA-N 1 0 326.234 3.346 10 10 EGCERO COC1CCN(c2ccc(CN3CCC(C)([NH+](C)C)CC3)cc2)CC1 ZINC000931352744 1329100616 /nfs/dbraw/zinc/10/06/16/1329100616.db2.gz RYBVBNSOYXKBBS-UHFFFAOYSA-N 1 0 345.531 3.218 10 10 EGCERO C[C@H]([NH2+]C[C@H]1CCC2(CCOCC2)O1)c1cc(Cl)ccc1O ZINC000927017993 1327822284 /nfs/dbraw/zinc/82/22/84/1327822284.db2.gz XJVCAYMZQMHXQA-GXTWGEPZSA-N 1 0 325.836 3.424 10 10 EGCERO C[C@@H]([NH2+]C1([C@@H]2CCCCO2)CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000927159730 1327898242 /nfs/dbraw/zinc/89/82/42/1327898242.db2.gz IBIPPQKBUXAYAX-BEFAXECRSA-N 1 0 348.462 3.415 10 10 EGCERO Cc1ncc(C[NH2+][C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)o1 ZINC000862283090 1329473877 /nfs/dbraw/zinc/47/38/77/1329473877.db2.gz AFXUQUFAAHEOOV-ZDUSSCGKSA-N 1 0 337.370 3.343 10 10 EGCERO C[N@@H+]1CC[C@H]([NH2+]Cc2cccc(Br)c2[O-])CC1(C)C ZINC000862348423 1329476226 /nfs/dbraw/zinc/47/62/26/1329476226.db2.gz MWFBCXNGMPGEJJ-LBPRGKRZSA-N 1 0 327.266 3.117 10 10 EGCERO CC[C@H]([NH2+]CC1([NH3+])CCOCC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000863542546 1329561971 /nfs/dbraw/zinc/56/19/71/1329561971.db2.gz WNICPKVWOYOTBG-ZDUSSCGKSA-N 1 0 333.259 3.248 10 10 EGCERO CCN(CC)c1ccc(C[NH2+]C2CCC(CNC(C)=O)CC2)cc1 ZINC000865418714 1329694592 /nfs/dbraw/zinc/69/45/92/1329694592.db2.gz OOPUEDBGDMELDC-UHFFFAOYSA-N 1 0 331.504 3.317 10 10 EGCERO Cc1cc(C[NH2+][C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)on1 ZINC000865478543 1329703156 /nfs/dbraw/zinc/70/31/56/1329703156.db2.gz HLSQAOKXDCBAGI-ZDUSSCGKSA-N 1 0 337.370 3.343 10 10 EGCERO CCC[C@H](CCO)[NH2+][C@@H](C)c1cc(Br)cc(OC)c1O ZINC000866414219 1330108769 /nfs/dbraw/zinc/10/87/69/1330108769.db2.gz ARUATSYAAGVSPU-CMPLNLGQSA-N 1 0 346.265 3.365 10 10 EGCERO COc1cccc([C@@H](C)[NH2+]Cc2ccc(C3(C)OCCO3)cc2)c1O ZINC000866423477 1330109767 /nfs/dbraw/zinc/10/97/67/1330109767.db2.gz TVYDOEBHWSMQMC-CQSZACIVSA-N 1 0 343.423 3.471 10 10 EGCERO C[C@@H]([NH2+]CC[C@@H](O)C(F)F)c1ccc(N2CCCCC2)c(F)c1 ZINC000866442168 1330112931 /nfs/dbraw/zinc/11/29/31/1330112931.db2.gz FWUSGGVGRZLWQN-MLGOLLRUSA-N 1 0 330.394 3.483 10 10 EGCERO COc1cc(Br)cc([C@H](C)[NH2+][C@@H]2C[C@@H](C)O[C@@H]2C)c1O ZINC000866447086 1330113601 /nfs/dbraw/zinc/11/36/01/1330113601.db2.gz HMLFPJJDVFKJAM-BSTOTGJRSA-N 1 0 344.249 3.380 10 10 EGCERO COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C2CCC(C)([NH+](C)C)CC2)c1 ZINC000866516842 1330121101 /nfs/dbraw/zinc/12/11/01/1330121101.db2.gz DBJKIBPCTNTKPO-VZDIAYEVSA-N 1 0 334.460 3.092 10 10 EGCERO COc1ccc(C[NH2+]C[C@]2(C)CCN(C(=O)C=C3CCC3)C2)cc1C ZINC001324714222 1387748644 /nfs/dbraw/zinc/74/86/44/1387748644.db2.gz MMGUYZWRCAFYPC-NRFANRHFSA-N 1 0 342.483 3.442 10 10 EGCERO CC[C@@H](C)[C@@H](C)[N@H+](CC(=O)NCc1ccc(N(C)C)cc1)C1CC1 ZINC001190913675 1367381496 /nfs/dbraw/zinc/38/14/96/1367381496.db2.gz NCBCLETYXHJQID-HZPDHXFCSA-N 1 0 331.504 3.268 10 10 EGCERO C[C@@H]([NH2+]CC(=O)Nc1nc(-c2ccco2)cs1)c1ccccc1O ZINC001197002552 1368729509 /nfs/dbraw/zinc/72/95/09/1368729509.db2.gz BABYLBDRIXRKLC-LLVKDONJSA-N 1 0 343.408 3.398 10 10 EGCERO c1cc(N2CCOCC2)ccc1C[N@@H+]1CCCC[C@H]1[C@@H]1CCCO1 ZINC001198685542 1369091101 /nfs/dbraw/zinc/09/11/01/1369091101.db2.gz MJKLJDFMGXBNGH-PMACEKPBSA-N 1 0 330.472 3.057 10 10 EGCERO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]C[C@@H](C)N1C[C@@H](C)O[C@@H](C)C1 ZINC001118325255 1371163864 /nfs/dbraw/zinc/16/38/64/1371163864.db2.gz GCUKTUGXHKCQBD-MTSZKFMLSA-N 1 0 332.488 3.336 10 10 EGCERO CN1CCN(c2ccc(C[NH2+][C@H]3C[C@H](OC(C)(C)C)C3)cc2F)CC1 ZINC001326807738 1388317288 /nfs/dbraw/zinc/31/72/88/1388317288.db2.gz SYRGTPSIJUQFTQ-QAQDUYKDSA-N 1 0 349.494 3.013 10 10 EGCERO Cc1cc(CNC(=O)[C@@H]2CCC[N@H+]2C)c(C)n1-c1cccc(C)c1 ZINC001151152923 1379668802 /nfs/dbraw/zinc/66/88/02/1379668802.db2.gz GNHPNLVHHXNJQO-IBGZPJMESA-N 1 0 325.456 3.113 10 10 EGCERO Cc1cc(NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)ncc1[N+](=O)[O-] ZINC001307227168 1383961458 /nfs/dbraw/zinc/96/14/58/1383961458.db2.gz DBXQQCDVUDLYKV-KRWDZBQOSA-N 1 0 343.431 3.079 10 10 EGCERO Cc1cc(C[N@@H+](C)[C@@H]2CCCCN(C)C2=O)ccc1N1CCCCC1 ZINC001307981761 1384067238 /nfs/dbraw/zinc/06/72/38/1384067238.db2.gz GAWJXQZGTQZBLG-HXUWFJFHSA-N 1 0 343.515 3.428 10 10 EGCERO CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@H]2[C@H](O)c2ccccc2)c1O ZINC001307986846 1384068444 /nfs/dbraw/zinc/06/84/44/1384068444.db2.gz DBGWMFDVBNWADQ-AZUAARDMSA-N 1 0 343.398 3.432 10 10 EGCERO C[C@H]([NH2+]CC(=O)Nc1nc(-c2ccco2)cs1)c1ccccc1O ZINC001308009550 1384074350 /nfs/dbraw/zinc/07/43/50/1384074350.db2.gz BABYLBDRIXRKLC-NSHDSACASA-N 1 0 343.408 3.398 10 10 EGCERO CN(C)c1ccc([C@H](CNC(=O)NC2(C)CCCCC2)[NH+](C)C)cc1 ZINC001313411836 1384416771 /nfs/dbraw/zinc/41/67/71/1384416771.db2.gz JLYIFNUNYUXKLN-SFHVURJKSA-N 1 0 346.519 3.377 10 10 EGCERO CC(C)n1cccc1C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001180179846 1386722571 /nfs/dbraw/zinc/72/25/71/1386722571.db2.gz SWZHPSHPHRCKQZ-LJQANCHMSA-N 1 0 342.487 3.168 10 10 EGCERO COc1ccc(C[NH2+]CCCN(C)C(=O)C2C=CC=CC=C2)cc1C ZINC001322529479 1387201543 /nfs/dbraw/zinc/20/15/43/1387201543.db2.gz XAIKFVRVUJJMAV-UHFFFAOYSA-N 1 0 340.467 3.240 10 10 EGCERO COc1ccc(C[NH2+]CC(C)(C)CN(C)C(=O)c2ccc[nH]2)cc1C ZINC001329269067 1389043854 /nfs/dbraw/zinc/04/38/54/1389043854.db2.gz XBSSOGXTFCIRSJ-UHFFFAOYSA-N 1 0 343.471 3.220 10 10 EGCERO CN1CCN(c2ccc(C[N@@H+]3CCC[C@H](CCF)C3)cc2F)CC1 ZINC001330375022 1389400745 /nfs/dbraw/zinc/40/07/45/1389400745.db2.gz RQILYNBOZWQTTA-MRXNPFEDSA-N 1 0 337.458 3.149 10 10 EGCERO CCCN(C(=O)c1ccc(N=NC(N)=O)cc1)[C@H]1CC[N@H+](CCC)C1 ZINC001481411606 1394270075 /nfs/dbraw/zinc/27/00/75/1394270075.db2.gz GHBUFNRHERUTQA-INIZCTEOSA-N 1 0 345.447 3.186 10 10 EGCERO CC(C)C[NH2+]C1(CNC(=O)c2ccc(N=NC(N)=O)cc2)CCCC1 ZINC001482238330 1394834409 /nfs/dbraw/zinc/83/44/09/1394834409.db2.gz ODALQYMHMMHFSP-UHFFFAOYSA-N 1 0 345.447 3.137 10 10 EGCERO COc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)C2C=CC=CC=C2)cc1C ZINC001482287529 1394867706 /nfs/dbraw/zinc/86/77/06/1394867706.db2.gz RFFUHRKXDILTPW-KRWDZBQOSA-N 1 0 340.467 3.239 10 10 EGCERO C[C@H](C[NH2+]CCC(C)(C)C)N(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001482371193 1394933456 /nfs/dbraw/zinc/93/34/56/1394933456.db2.gz LQHXPYYPZYQMSY-CYBMUJFWSA-N 1 0 347.463 3.335 10 10 EGCERO COc1ccc(C[NH2+]C[C@@H](CC(C)C)NC(=O)[C@H]2CC23CC3)cc1C ZINC001482391626 1394951962 /nfs/dbraw/zinc/95/19/62/1394951962.db2.gz BOSYJCXDWDGYDZ-QZTJIDSGSA-N 1 0 344.499 3.424 10 10 EGCERO COc1ccc(C[NH2+]C[C@H](CC(C)C)NC(=O)[C@@H]2CC23CC3)cc1C ZINC001482391627 1394952319 /nfs/dbraw/zinc/95/23/19/1394952319.db2.gz BOSYJCXDWDGYDZ-ROUUACIJSA-N 1 0 344.499 3.424 10 10 EGCERO COc1ccc(C[NH2+][C@H](C)CNC(=O)c2cccc(C)c2)cc1C ZINC001690552349 1404631401 /nfs/dbraw/zinc/63/14/01/1404631401.db2.gz ZZUQNIMDSUJJKQ-MRXNPFEDSA-N 1 0 326.440 3.220 10 10 EGCERO C/C=C(\C)C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001691577617 1405344525 /nfs/dbraw/zinc/34/45/25/1405344525.db2.gz ULZYNVXIKBMXNE-DFGGWJSVSA-N 1 0 330.472 3.344 10 10 EGCERO CC[C@H](CNC(=O)c1cccc(F)c1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001732193643 1428445113 /nfs/dbraw/zinc/44/51/13/1428445113.db2.gz XIKXYSGWVBTTCZ-GOSISDBHSA-N 1 0 344.430 3.441 10 10 EGCERO COc1ccc(C[NH2+]C[C@@H](C)CNC(=O)[C@@H](C)C(F)(F)F)cc1C ZINC001732356767 1428546399 /nfs/dbraw/zinc/54/63/99/1428546399.db2.gz ZKQPTGJMJIQLFZ-DGCLKSJQSA-N 1 0 346.393 3.044 10 10 EGCERO CC/C=C\CC[N@H+](C)C[C@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001699476315 1412869045 /nfs/dbraw/zinc/86/90/45/1412869045.db2.gz KXHZFSSFKJFOEF-WENZHCHASA-N 1 0 345.447 3.255 10 10 EGCERO COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)C2CC(C)(C)C2)cc1C ZINC001700746342 1414414804 /nfs/dbraw/zinc/41/48/04/1414414804.db2.gz RUDAYTGQBFSYQO-HNNXBMFYSA-N 1 0 332.488 3.376 10 10 EGCERO COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)c2cocc2C)cc1C ZINC001700760842 1414433328 /nfs/dbraw/zinc/43/33/28/1414433328.db2.gz SDOHPWTXYSNNCJ-HNNXBMFYSA-N 1 0 330.428 3.155 10 10 EGCERO COc1ccc(C[NH2+][C@@H](CNC(=O)[C@H]2[C@@H]3CCC[C@@H]32)C2CC2)cc1C ZINC001713110206 1417671717 /nfs/dbraw/zinc/67/17/17/1417671717.db2.gz ZYRBGRIFRLDSOO-HLNWXESRSA-N 1 0 342.483 3.034 10 10 EGCERO C/C=C(/C)C(=O)NC1(C[NH2+]Cc2ccc(OC)c(C)c2)CCCC1 ZINC001714132349 1418935731 /nfs/dbraw/zinc/93/57/31/1418935731.db2.gz VQXRPHSUQOQCEQ-WCSRMQSCSA-N 1 0 330.472 3.488 10 10 EGCERO COc1ccc(C[NH2+]C[C@H](C)CNC(=O)/C=C(\C)C2CC2)cc1C ZINC001715220590 1419954638 /nfs/dbraw/zinc/95/46/38/1419954638.db2.gz KGISSLIABXMOKW-GWQWUEFDSA-N 1 0 330.472 3.202 10 10 EGCERO CCN(CC[NH2+]Cc1ccc(OC)c(C)c1)C(=O)C1C=CC=CC=C1 ZINC001715734269 1420317549 /nfs/dbraw/zinc/31/75/49/1420317549.db2.gz ORPWWVCOKUKTEH-UHFFFAOYSA-N 1 0 340.467 3.240 10 10 EGCERO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)[C@@H]2CC3CCC2CC3)cc1C ZINC001715962599 1420428732 /nfs/dbraw/zinc/42/87/32/1420428732.db2.gz NMAJUHBMPXKABF-JVGQSUMCSA-N 1 0 344.499 3.424 10 10 EGCERO CCN(CC[NH2+]Cc1ccc(OC)c(C)c1)C(=O)c1ccccc1 ZINC001716203332 1420564988 /nfs/dbraw/zinc/56/49/88/1420564988.db2.gz HWXQSHIFKDHYOE-UHFFFAOYSA-N 1 0 326.440 3.256 10 10 EGCERO COc1ccc(C[NH2+]C/C=C/CNC(=O)/C=C(\C)C2CC2)cc1C ZINC001716271641 1420590086 /nfs/dbraw/zinc/59/00/86/1420590086.db2.gz CHTSUUIQQZGMHI-GRXKYJHOSA-N 1 0 328.456 3.122 10 10 EGCERO COc1ccc(C[NH2+]C[C@@H](NC(=O)C2CC(C)C2)C2CC2)cc1C ZINC001723287679 1424334254 /nfs/dbraw/zinc/33/42/54/1424334254.db2.gz KISWDRXIKAIQGE-ZTUNLMCQSA-N 1 0 330.472 3.034 10 10 EGCERO COc1ccc(C[NH2+]C2(CNC(=O)c3ccccc3F)CC2)cc1C ZINC001723491653 1424439997 /nfs/dbraw/zinc/43/99/97/1424439997.db2.gz PVLGURJYUCRAET-UHFFFAOYSA-N 1 0 342.414 3.195 10 10 EGCERO CCC(=O)NC[C@H]1CC[C@H](C[NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC001724600015 1424930632 /nfs/dbraw/zinc/93/06/32/1424930632.db2.gz MPQZCNGNKYDJRV-QAQDUYKDSA-N 1 0 332.488 3.426 10 10 EGCERO COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)CCc2ccco2)cc1C ZINC001725483518 1426160244 /nfs/dbraw/zinc/16/02/44/1426160244.db2.gz ZMPOZFJRMOGZPT-INIZCTEOSA-N 1 0 344.455 3.166 10 10 EGCERO COc1ccc(C[NH2+][C@@H](C)CNC(=O)[C@@H]2CCCC2(C)C)cc1C ZINC001731612613 1427658147 /nfs/dbraw/zinc/65/81/47/1427658147.db2.gz NIPBZKXHMQAWGH-RDJZCZTQSA-N 1 0 332.488 3.424 10 10 EGCERO COc1ccc(C[NH2+]CCN(C)C(=O)c2cc(F)cc(F)c2)cc1C ZINC001731980965 1428195002 /nfs/dbraw/zinc/19/50/02/1428195002.db2.gz VUAXNCNNMVLWIU-UHFFFAOYSA-N 1 0 348.393 3.144 10 10 EGCERO CCC1(C(=O)NCC2([NH2+]Cc3ccc(OC)c(C)c3)CCC2)CC1 ZINC001733721058 1429942596 /nfs/dbraw/zinc/94/25/96/1429942596.db2.gz GALKUXDXLGHFBC-UHFFFAOYSA-N 1 0 330.472 3.322 10 10 EGCERO